compound 58l [PMID: 30843696]   Click here for help

GtoPdb Ligand ID: 10340

Compound class: Synthetic organic
Comment: Compound 58l is a derivative of the P2Y12 receptor antagonist AZD1283 that has been optimised for drug-like properties (e.g. enhanced metabolic stability and antithrombotic efficacy in vivo) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 137.84
Molecular weight 468.15
XLogP 2.65
No. Lipinski's rules broken 0
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Canonical SMILES N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C
Isomeric SMILES N#Cc1cc2C(=O)OCc2nc1N1CCC(CC1)(C)C(=O)NS(=O)(=O)Cc1ccc(cc1)C
InChI InChI=1S/C23H24N4O5S/c1-15-3-5-16(6-4-15)14-33(30,31)26-22(29)23(2)7-9-27(10-8-23)20-17(12-24)11-18-19(25-20)13-32-21(18)28/h3-6,11H,7-10,13-14H2,1-2H3,(H,26,29)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand compound 58l [PMID: 30843696]
Other databases
GtoPdb PubChem SID 381745021
PubChem CID 137553172
Search Google for chemical match using the InChIKey UDMPNYKEHCRGIV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UDMPNYKEHCRGIV
UniChem Compound Search for chemical match using the InChIKey UDMPNYKEHCRGIV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UDMPNYKEHCRGIV-UHFFFAOYSA-N