(Carbonyl-(11)C)Way 100635
PubChem CID
449645
Structure
Molecular Formula
Synonyms
- DAV805YGOX
- (carbonyl-11C)WAY-100635
- UNII-DAV805YGOX
- (Carbonyl-(11)C)Way 100635
- [11C]WAY100635
Molecular Weight
421.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-27
- Modify:2025-01-18
Chemical Structure Depiction
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3/i25-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SBPRIAGPYFYCRT-FNNGWQQSSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)[11C](=O)C4CCCCC4
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C25H34N4O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
162760-97-6
- DAV805YGOX
- (carbonyl-11C)WAY-100635
- UNII-DAV805YGOX
- (Carbonyl-(11)C)Way 100635
- [11C]WAY100635
- 162760-97-6
- WAY-100635 C-11
- [11C]WAY100635 (PET ligand)
- [11C]WAY-100635
- 11C-WAY
- GTPL3252
- CHEMBL5174038
- SCHEMBL13398069
- [Carbonyl-11C]WAY100635
- MOLI000016
- MOLI001643
- 11C-WAY100635
- WAY-100635 CARBONYL-C-11
- WAY-100635, C-11 CARBONYL
- [Carbonyl-11C]N-(2-(1-(4-(2-Methoxyphenyl)-piperazinyl)ethyl)-N-pyridinyl)cyclohexanecarboxamide
- CYCLOHEXANECARBOXAMIDE-11C, N-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-2-PYRIDINYL-
- N-(2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-2-PYRIDINYLCYCLOHEXANECARBOXAMIDE-11C
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
421.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
4.2
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
421.2796089 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
421.2796089 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
48.9 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
31
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
546
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
PubMed Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SBPRIAGPYFYCRT-FNNGWQQSSA-N
Molecular Imaging Agent (NCI)
Agent Name: 4a
Molecular Imaging Agent (NCI)
Agent Name: JP9
PMID
Abbreviated name
[Carbonyl-11C]WAY 100635
Agent Category
Compound
Target
5-HT1A receptors
Target Category
Receptor-ligand binding
Method of detection
Positron Emission Tomography (PET)
Source of signal
11C
Activation
No
Studies
In vitro; Rodents; NonHuman Primates; Humans;
Use Classification
Imaging agents
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingWAY-100635 CARBONYL-C-11https://gsrs.ncats.nih.gov/ginas/app/beta/substances/DAV805YGOX
- IUPHAR/BPS Guide to PHARMACOLOGYLICENSEThe Guide to PHARMACOLOGY database is licensed under the Open Data Commons Open Database License (ODbL) https://opendatacommons.org/licenses/odbl/. Its contents are licensed under a Creative Commons Attribution-ShareAlike 4.0 International License (http://creativecommons.org/licenses/by-sa/4.0/)https://www.guidetopharmacology.org/about.jsp#license[<sup>11</sup>C]WAY100635https://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=3252Guide to Pharmacology Target Classificationhttps://www.guidetopharmacology.org/targets.jsp
- Therapeutic Target Database (TTD)[11C]WAY100635https://idrblab.net/ttd/data/drug/details/D00XVV
- Molecular Imaging and Contrast Agent Database (MICAD)[Carbonyl-11C]N-(2-(1-(4-(2-Methoxyphenyl)-piperazinyl)ethyl)-N-pyridinyl) cyclohexanecarboxamidehttp://www.ncbi.nlm.nih.gov/books/NBK23263
- Molecular Imaging Database (MOLI)
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 391247221https://pubchem.ncbi.nlm.nih.gov/substance/391247221
CONTENTS