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Ligand

NameCHEMBL566177
Molecular formulaC25H18BrCl2FN4O5S
IUPAC namemethyl (2S)-3-(3-bromo-4-fluorophenyl)-2-[[4,5-dichloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoate
Molecular weight656.304
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP5.5
SynonymsAICFYCNTUWZWAG-NRFANRHFSA-N
(S)-3-(3-Bromo-4-fluoro-phenyl)-2-[4,5-dichloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methyl ester
BDBM50415075
SCHEMBL3754073
Inchi KeyAICFYCNTUWZWAG-NRFANRHFSA-N
Inchi IDInChI=1S/C25H18BrCl2FN4O5S/c1-38-25(35)21(10-13-5-6-18(29)15(26)9-13)32-24(34)14-11-16(27)17(28)12-20(14)33-39(36,37)22-4-2-3-19-23(22)31-8-7-30-19/h2-9,11-12,21,33H,10H2,1H3,(H,32,34)/t21-/m0/s1
PubChem CID45486947
ChEMBLCHEMBL566177
IUPHARN/A
BindingDB50415075
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
6100Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
6099Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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