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Ligand

NameCHEMBL1289679
Molecular formulaC24H26ClF3N4O
IUPAC name(5S,7R)-N-(1-adamantyl)-5-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular weight478.944
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50331952
N-(1-Adamantyl)-5-(3-chlorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxamide
Inchi KeyCWFQEEBEAWPVIP-JFUWQCHASA-N
Inchi IDInChI=1S/C24H26ClF3N4O/c25-17-3-1-2-16(7-17)19-8-20(24(26,27)28)32-21(30-19)18(12-29-32)22(33)31-23-9-13-4-14(10-23)6-15(5-13)11-23/h1-3,7,12-15,19-20,30H,4-6,8-11H2,(H,31,33)/t13?,14?,15?,19-,20+,23?/m0/s1
PubChem CID136032598
ChEMBLCHEMBL1289679
IUPHARN/A
BindingDB50331952
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
558881Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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