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Ligand

NameCHEMBL2203614
Molecular formulaC27H34N4O
IUPAC nameN-[(1S)-3-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
Molecular weight430.596
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.5
SynonymsN-[(1S)-3-[4-(2-methylbenzimidazol-1-yl)-1-piperidyl]-1-phenyl-propyl]cyclobutanecarboxamide
BDBM50400796
Cyclobutanecarboxamide, N-[(1S)-3-[4-(2-methyl-1H-benzimidazol-1-yl)-1-piperidinyl]-1-phenylpropyl]-
Inchi KeyALDSFVOFVJGKIF-DEOSSOPVSA-N
Inchi IDInChI=1S/C27H34N4O/c1-20-28-25-12-5-6-13-26(25)31(20)23-14-17-30(18-15-23)19-16-24(21-8-3-2-4-9-21)29-27(32)22-10-7-11-22/h2-6,8-9,12-13,22-24H,7,10-11,14-19H2,1H3,(H,29,32)/t24-/m0/s1
PubChem CID15958353
ChEMBLCHEMBL2203614
IUPHARN/A
BindingDB50400796
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
8160C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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