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Ligand

NameCHEMBL382435
Molecular formulaC32H38ClFN2O5S2
IUPAC nameN-[1-[(3R)-3-(3-chloro-5-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
Molecular weight649.233
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP5.2
Synonyms(R)-N-(1-(3-(3-chloro-5-fluorophenyl)-3-(4-(methylsulfonyl)phenyl)propyl)piperidin-4-yl)-N-ethyl-2-(4-(methylsulfonyl)phenyl)acetamide
Benzeneacetamide, N-ethyl-4-(methylsulfonyl)-N-[1-[(3S)-3-[4-(methylsulfonyl)phenyl]-3-(3-fluoro-5-chlorophenyl)propyl]-4-piperidinyl]-
N-[1-[(3R)-3-(3-chloro-5-fluoro-phenyl)-3-(4-methylsulfonylphenyl)propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
BDBM50185667
Inchi KeyAEKZALMFASFTNO-WJOKGBTCSA-N
Inchi IDInChI=1S/C32H38ClFN2O5S2/c1-4-36(32(37)19-23-5-9-29(10-6-23)42(2,38)39)28-13-16-35(17-14-28)18-15-31(25-20-26(33)22-27(34)21-25)24-7-11-30(12-8-24)43(3,40)41/h5-12,20-22,28,31H,4,13-19H2,1-3H3/t31-/m1/s1
PubChem CID16073670
ChEMBLCHEMBL382435
IUPHARN/A
BindingDB50185667
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3587C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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