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Ligand

NameCHEMBL303947
Molecular formulaC27H33N3O3
IUPAC nameN-[(2S,3S,5R)-3-hydroxy-7-methyl-5-(methylcarbamoyl)-1-phenyloctan-2-yl]quinoline-4-carboxamide
Molecular weight447.579
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.2
SynonymsQuinoline-4-carboxylic acid ((1S,2S,4R)-1-benzyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptyl)-amide
BDBM50144394
Inchi KeyBBVMPGURWSGTFX-YNJKOYDBSA-N
Inchi IDInChI=1S/C27H33N3O3/c1-18(2)15-20(26(32)28-3)17-25(31)24(16-19-9-5-4-6-10-19)30-27(33)22-13-14-29-23-12-8-7-11-21(22)23/h4-14,18,20,24-25,31H,15-17H2,1-3H3,(H,28,32)(H,30,33)/t20-,24+,25+/m1/s1
PubChem CID44309087
ChEMBLCHEMBL303947
IUPHARN/A
BindingDB50144394
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
19871C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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