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Ligand

NameCHEMBL2096789
Molecular formulaC21H21ClF3N3O2
IUPAC nameN-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight439.863
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.8
Synonyms(S)-1-(4-chlorobenzyl)-3-[N-{3(trifluoromethyl)benzoyl}glycyl]aminopyrrolidine
SCHEMBL4841344
BAOQJSULMWXFRK-SFHVURJKSA-N
(S)-1-(4-chlorobenzyl)-3-[N-{3-(trifluoromethyl)benzoyl}glycyl]aminopyrrolidine
ZINC28383486
[ Show all ]
Inchi KeyBAOQJSULMWXFRK-SFHVURJKSA-N
Inchi IDInChI=1S/C21H21ClF3N3O2/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29)/t18-/m0/s1
PubChem CID69212799
ChEMBLCHEMBL2096789
IUPHARN/A
BindingDB50409951
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
19036C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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