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Ligand

NameCHEMBL250657
Molecular formulaC24H29Cl2N3S
IUPAC name4-(3,4-dichlorophenyl)-N-[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]-1,3-thiazol-2-amine
Molecular weight462.477
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP6.8
SynonymsBDBM50225720
N-(4-(3,4-dichlorophenyl)thiazol-2-yl)-1-(((1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl)piperidin-4-amine
Inchi KeyALWKLBLANVUFLD-HKUYNNGSSA-N
Inchi IDInChI=1S/C24H29Cl2N3S/c1-24(2)17-5-3-16(19(24)12-17)13-29-9-7-18(8-10-29)27-23-28-22(14-30-23)15-4-6-20(25)21(26)11-15/h3-4,6,11,14,17-19H,5,7-10,12-13H2,1-2H3,(H,27,28)/t17-,19-/m0/s1
PubChem CID44443833
ChEMBLCHEMBL250657
IUPHARN/A
BindingDB50225720
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
8620C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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