Methylphenidate (CID 4158) - BioAssay Data Summary for Compound
.
BioActivity Outcomes:
Active(12)
 
 
Inactive(2)
 
 
Inconclusive(16)
 
 
Unspecified(52)
 
 
Top Targets:
SLC6sbd DAT1(3)
 
 
 
NAD binding 8(2)
 
 
SLC6sbd NET(2)
 
 
p450(1)
 
 
BioAssay Types:
Literature(79)
 
 
 
 
 
BioActivity Types:
IC50(24)
 
 
 
 
Ki(3)
 
 
 
SAR
Target summary
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 82    Data Row: 82   Total Pages: 2   Display: Page     
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#SubstanceActivityBioAssayTargetLinks
OutcomeTypeValue [μM]
1
[SID103209574]
IC50 0.017Inhibition of [3H]WIN-35428 Binding to the Dopamine Transporter in Rhesus (Macaca mulatta) orCynomolgus Monkey (Macaca fascicularis) Caudate-Putamen [AID64208, Type: Literature]
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2
[SID103209574]
IC50 0.061Inhibition of [3H]NE uptake into human NET expressing HEK293 cells [AID275446, Type: Literature]
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3
[SID103209574]
IC50 0.079Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells [AID275442, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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4
[SID103209574]
IC50 0.079Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells [AID275442, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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5
[SID103209574]
IC50 0.079Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells [AID275442, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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6
[SID103209574]
IC50 0.079Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells [AID275442, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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7
[SID103209574]
IC50 0.083Tested for the ability to bind stereoselectively and enantioselectively to the dopamine transporter (DAT); Value ranges from 34 - 83 nM [AID65807, Type: Literature]
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8
[SID103209574]
Ki 0.11Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells [AID275441, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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9
[SID103209574]
Ki 0.11Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells [AID275441, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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10
[SID103209574]
Ki 0.11Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells [AID275441, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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11
[SID103209574]
Ki 0.11Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells [AID275441, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
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12
[SID103209574]
IC50 0.171Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptosomes [AID195888, Type: Literature]
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13
[SID103209574]
IC50 0.438Ability to inhibit the uptake of dopamine [3H]DA in to rat brain synaptosomes [AID195887, Type: Literature]
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14
[SID103209574]
Ki 0.66Displacement of [125I]RTI-55 from human NET expressing HEK293 cells [AID275445, Type: Literature]
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15
[SID103209574]
IC50 5.1Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells [AID275444, Type: Literature]
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16
[SID85209963]
 Ligands of bioamine (Class A) GPCRs [AID2062, Type: other]
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17
[SID48416258]
 DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database [AID1195, Type: other]
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18
[SID103858000]
 Wombat Data for BeliefDocking [AID493017, Type: Literature] [geneid:6531]
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19
[SID103858000]
 Wombat Data for BeliefDocking [AID493017, Type: Literature] [geneid:6531]
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20
[SID103858000]
 Wombat Data for BeliefDocking [AID493017, Type: Literature] [geneid:6531]
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21
[SID103858000]
 Wombat Data for BeliefDocking [AID493017, Type: Literature] [geneid:6531]
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22
[SID103209574]
Ki 65Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells [AID275443, Type: Literature]
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23
[SID103209574]
IC50 100Inhibition of [3H]citalopram Binding to the Serotonin Transporter in Rhesus (Macaca mulatta) or Cynomolgus Monkey (Macaca fascicularis) Caudate-Putamen [AID203945, Type: Literature]
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24
[SID103209574]
 In-vivo plasma to lung partition coefficients of the compound, logP(lung) in rat [AID603953, Type: Literature]
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25
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia [AID625279, Type: Literature]
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26
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis [AID625280, Type: Literature]
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27
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis [AID625281, Type: Literature]
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28
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis [AID625282, Type: Literature]
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29
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests [AID625283, Type: Literature]
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30
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure [AID625284, Type: Literature]
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31
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis [AID625285, Type: Literature]
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32
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis [AID625286, Type: Literature]
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33
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly [AID625287, Type: Literature]
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34
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice [AID625288, Type: Literature]
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35
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease [AID625289, Type: Literature]
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36
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty [AID625290, Type: Literature]
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37
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal [AID625291, Type: Literature]
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38
[SID103209574]
 Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score [AID625292, Type: Literature]
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39
[SID103209574]
 Clearance in human liver microsomes at 1 uM measured after 60 mins by HPLC analysis [AID640615, Type: Literature]
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40
[SID103209574]
 Retention for passive avoidance learning in mice at dose 5 mg/kg [AID118793, Type: Literature]
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41
[SID103209574]
 Total body clearance in human [AID425652, Type: Literature]
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42
[SID103209574]
 Renal clearance in human [AID425653, Type: Literature]
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43
[SID103209574]
 Compound was tested at subtoxic dose of 25 mg/kg in mice; Symptoms are hyperactivity, irritability, stereotypy. [AID120997, Type: Literature]
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44
[SID103209574]
 Lipophilicity, log D at pH7.4 [AID298031, Type: Literature]
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45
[SID103209574]
 Acid dissociation constant, pKa of the compound [AID298032, Type: Literature]
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46
[SID103209574]
 Lipophilicity, log D at pH 7.4 by liquid chromatography [AID395324, Type: Literature]
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47
[SID103209574]
 Lipophilicity, log P by microemulsion electrokinetic chromatography [AID395325, Type: Literature]
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48
[SID103209574]
 Dissociation constant, pKa by capillary electrophoresis [AID395327, Type: Literature]
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49
[SID103209574]
 Acute toxicity in NMRI mouse assessed as behavioral changes at 25 mg/kg, ip by CNS activity test [AID416532, Type: Literature]
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50
[SID103209574]
 Clinically relevant substrates of human liver microsomal P450 enzymes, isoform CYP2D6 [AID589038, Type: other]Cytochrome P450 2D6 [gi:84028191]
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