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Name | CHEMBL566574 |
---|---|
Molecular formula | C24H16BrCl2FN4O5S |
IUPAC name | (2S)-3-(3-bromo-4-fluorophenyl)-2-[[4,5-dichloro-2-(quinoxalin-5-ylsulfonylamino)benzoyl]amino]propanoic acid |
Molecular weight | 642.277 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 5.2 |
Synonyms | SCHEMBL3752256 BDBM50415083 (S)-3-(3-Bromo-4-fluoro-phenyl)-2-[4,5-dichloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid BZVZYXCWVJJFDH-FQEVSTJZSA-N |
Inchi Key | BZVZYXCWVJJFDH-FQEVSTJZSA-N |
Inchi ID | InChI=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 CID | 45486936 |
ChEMBL | CHEMBL566574 |
IUPHAR | N/A |
BindingDB | 50415083 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
36828 | Cholecystokinin receptor type A | P32238 | CCKAR | Homo sapiens (Human) | 428 |
36827 | Gastrin/cholecystokinin type B receptor | P32239 | CCKBR | Homo sapiens (Human) | 447 |
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