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Ligand

NameCHEMBL566574
Molecular formulaC24H16BrCl2FN4O5S
IUPAC name(2S)-3-(3-bromo-4-fluorophenyl)-2-[[4,5-dichloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid
Molecular weight642.277
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP5.2
SynonymsBDBM50415083
(S)-3-(3-Bromo-4-fluoro-phenyl)-2-[4,5-dichloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid
BZVZYXCWVJJFDH-FQEVSTJZSA-N
SCHEMBL3752256
Inchi KeyBZVZYXCWVJJFDH-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H16BrCl2FN4O5S/c25-14-8-12(4-5-17(14)28)9-20(24(34)35)31-23(33)13-10-15(26)16(27)11-19(13)32-38(36,37)21-3-1-2-18-22(21)30-7-6-29-18/h1-8,10-11,20,32H,9H2,(H,31,33)(H,34,35)/t20-/m0/s1
PubChem CID45486936
ChEMBLCHEMBL566574
IUPHARN/A
BindingDB50415083
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
36828Cholecystokinin receptor type AP32238CCKARHomo sapiens (Human)428
36827Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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