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Ligand

NameCHEMBL69900
Molecular formulaC24H35N3O3
IUPAC nameN-[(3S,4S,5S,7R)-5-hydroxy-3,9-dimethyl-7-(methylcarbamoyl)decan-4-yl]quinoline-3-carboxamide
Molecular weight413.562
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.9
SynonymsBDBM50219441
Inchi KeyAVAFTNXAWHSWFA-REIYTJMXSA-N
Inchi IDInChI=1S/C24H35N3O3/c1-6-16(4)22(21(28)13-18(11-15(2)3)23(29)25-5)27-24(30)19-12-17-9-7-8-10-20(17)26-14-19/h7-10,12,14-16,18,21-22,28H,6,11,13H2,1-5H3,(H,25,29)(H,27,30)/t16-,18+,21-,22-/m0/s1
PubChem CID44308837
ChEMBLCHEMBL69900
IUPHARN/A
BindingDB50219441
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15130C-C chemokine receptor type 1P32246CCR1Homo sapiens (Human)355

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