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Ligand

NameCHEMBL3959631
Molecular formulaC27H30ClN3OS
IUPAC name(2R)-2-[(4aS,5R,8R,8aS)-2,8-dimethyl-4,4a,5,6,7,8,8a,9-octahydrobenzo[f][1,3]benzothiazol-5-yl]-N-(4-chloro-3-pyridin-2-ylphenyl)propanamide
Molecular weight480.067
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50200489
Inchi KeyAAUUNSQBGGSYMB-RLVOKJKJSA-N
Inchi IDInChI=1S/C27H30ClN3OS/c1-15-7-9-19(21-13-25-26(14-20(15)21)33-17(3)30-25)16(2)27(32)31-18-8-10-23(28)22(12-18)24-6-4-5-11-29-24/h4-6,8,10-12,15-16,19-21H,7,9,13-14H2,1-3H3,(H,31,32)/t15-,16-,19+,20+,21-/m1/s1
PubChem CID134155363
ChEMBLCHEMBL3959631
IUPHARN/A
BindingDB50200489
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
547907Smoothened homologP56726SmoMus musculus (Mouse)793

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