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Ligand

NameCHEMBL3960082
Molecular formulaC27H27ClN4O
IUPAC name(2R)-N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
Molecular weight458.99
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.8
SynonymsBDBM50200484
Inchi KeyBNLXSWAXHNDUIW-MDYRTPRTSA-N
Inchi IDInChI=1S/C27H27ClN4O/c1-15-8-11-20(25-19(15)12-9-16(2)29-25)17(3)27(33)30-18-10-13-22(28)21(14-18)26-31-23-6-4-5-7-24(23)32-26/h4-7,9-10,12-15,17,20H,8,11H2,1-3H3,(H,30,33)(H,31,32)/t15-,17-,20+/m1/s1
PubChem CID134155965
ChEMBLCHEMBL3960082
IUPHARN/A
BindingDB50200484
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
548193Smoothened homologP56726SmoMus musculus (Mouse)793

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