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Ligand

NameCHEMBL112682
Molecular formulaC31H38N4O4
IUPAC nameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-8-hydroxy-4-oxo-1H-quinoline-2-carboxamide
Molecular weight530.669
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.9
Synonyms(R)-4,8-Dihydroxy-quinoline-2-carboxylic acid [1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
(R)-2-(4,8-Dihydroxy-2-quinolinylcarbonylamino)-3-(1H-indol-3-yl)-N,N-dipentylpropanamide
BDBM50008627
Inchi KeyBYIBEZIVVZSAAH-AREMUKBSSA-N
Inchi IDInChI=1S/C31H38N4O4/c1-3-5-9-16-35(17-10-6-4-2)31(39)26(18-21-20-32-24-14-8-7-12-22(21)24)34-30(38)25-19-28(37)23-13-11-15-27(36)29(23)33-25/h7-8,11-15,19-20,26,32,36H,3-6,9-10,16-18H2,1-2H3,(H,33,37)(H,34,38)/t26-/m1/s1
PubChem CID9914964
ChEMBLCHEMBL112682
IUPHARN/A
BindingDB50008627
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35809Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
35810Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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