Bookmark and Share
Methylphenidate (CID 4158) - Compound BioActivity Data
.
BioActivity Outcomes:
Active(14)
 
 
Inactive(2)
 
 
Inconclusive(16)
 
 
Unspecified(54)
 
 
Top Targets:
SLC6sbd DAT1(6)
 
 
 
SLC6sbd NET(3)
 
 
 
NAD binding 8(2)
 
 
p450(1)
 
 
BioAssay Types:
Literature(81)
 
 
 
 
 
BioActivity Types:
IC50(24)
 
 
 
 
Ki(3)
 
 
 
Data download

Chemical Probe    Active    Inactive    Inconclusive    Unspecified   

Total Bioassays: 84    Data Row: 86   Total Pages: 2   Display: Page     
Sort: [Click the result table header to sort]
#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]
View
2
[SID103209574]
IC50 0.061Inhibition of [3H]NE uptake into human NET expressing HEK293 cells [AID275446, Type: Literature]
View
3
[SID103209574]
IC50 0.079Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells [AID275442, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
View
4
[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]
View
5
[SID103209574]
Ki 0.11Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells [AID275441, Type: Literature]Sodium-dependent dopamine transporter [gi:266667]
View
6
[SID103209574]
IC50 0.171Ability to inhibit the uptake of norepinephrine [3H]-NE in to rat brain synaptosomes [AID195888, Type: Literature]
View
7
[SID103209574]
IC50 0.438Ability to inhibit the uptake of dopamine [3H]DA in to rat brain synaptosomes [AID195887, Type: Literature]
View
8
[SID103209574]
Ki 0.66Displacement of [125I]RTI-55 from human NET expressing HEK293 cells [AID275445, Type: Literature]
View
9
[SID103209574]
IC50 5.1Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells [AID275444, Type: Literature]
View
10
[SID103209574]
Norepinephrine transporter inhibitor [AID742957, Type: other]Sodium-dependent noradrenaline transporter [gi:128616]
View
11
[SID103858000]
Wombat Data for BeliefDocking [AID493017, Type: Literature] [geneid:6531]
View
12
[SID103209574]
Dopamine transporter inhibitor [AID742915, Type: other]Sodium-dependent dopamine transporter [gi:266667]
View
13
[SID48416258]
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database [AID1195, Type: other]
View
14
[SID85209963]
Ligands of bioamine (Class A) GPCRs [AID2062, Type: other]
View
15
[SID103209574]
Ki 65Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells [AID275443, Type: Literature]
View
16
[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]
View
17
[SID103209574]
Total body clearance in human [AID425652, Type: Literature]
View
18
[SID103209574]
Renal clearance in human [AID425653, Type: Literature]
View
19
[SID103209574]
Solubility of the compound in 0.1 M phosphate buffer at 600 uM at pH 7.4 after 24 hrs by LC/MS/MS analysis [AID539464, Type: Literature]
View
20
[SID103209574]
Volume of distribution at steady state in human after iv administration [AID540209, Type: Literature]
View
21
[SID103209574]
Clearance in human after iv administration [AID540210, Type: Literature]
View
22
[SID103209574]
Fraction unbound in human after iv administration [AID540211, Type: Literature]
View
23
[SID103209574]
Mean residence time in human after iv administration [AID540212, Type: Literature]
View
24
[SID103209574]
Half life in human after iv administration [AID540213, Type: Literature]
View
25
[SID103209574]
Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset [AID588209, Type: Literature]
View
26
[SID103209574]
Human drug-induced liver injury (DILI) modelling dataset from Ekins et al [AID588210, Type: Literature]
View
27
[SID103209574]
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans [AID588211, Type: Literature]
View
28
[SID103209574]
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents [AID588212, Type: Literature]
View
29
[SID103209574]
Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents [AID588213, Type: Literature]
View
30
[SID103209574]
In-vivo plasma to lung partition coefficients of the compound, logP(lung) in rat [AID603953, Type: Literature]
View
31
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia [AID625279, Type: Literature]
View
32
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis [AID625280, Type: Literature]
View
33
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis [AID625281, Type: Literature]
View
34
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis [AID625282, Type: Literature]
View
35
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests [AID625283, Type: Literature]
View
36
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure [AID625284, Type: Literature]
View
37
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis [AID625285, Type: Literature]
View
38
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis [AID625286, Type: Literature]
View
39
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly [AID625287, Type: Literature]
View
40
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice [AID625288, Type: Literature]
View
41
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease [AID625289, Type: Literature]
View
42
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty [AID625290, Type: Literature]
View
43
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal [AID625291, Type: Literature]
View
44
[SID103209574]
Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score [AID625292, Type: Literature]
View
45
[SID103209574]
Clearance in human liver microsomes at 1 uM measured after 60 mins by HPLC analysis [AID640615, Type: Literature]
View
46
[SID103209574]
Lipophilicity, log D at pH7.4 [AID298031, Type: Literature]
View
47
[SID103209574]
Acid dissociation constant, pKa of the compound [AID298032, Type: Literature]
View
48
[SID103209574]
Lipophilicity, log D at pH 7.4 by liquid chromatography [AID395324, Type: Literature]
View
49
[SID103209574]
Lipophilicity, log P by microemulsion electrokinetic chromatography [AID395325, Type: Literature]
View
50
[SID103209574]
Dissociation constant, pKa by capillary electrophoresis [AID395327, Type: Literature]
View