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Name | CHEMBL433594 |
---|---|
Molecular formula | C28H30ClN5O3S |
IUPAC name | 7-chloro-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-N-(1,2,5-thiadiazol-3-yl)-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide |
Molecular weight | 552.09 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.8 |
Synonyms | BDBM50155361 7-Chloro-2-oxo-4-(2-piperidin-2-yl-ethoxy)-3-((S)-3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid [1,2,5]thiadiazol-3-ylamide |
Inchi Key | BEDCPQWYYPUQGP-IBGZPJMESA-N |
Inchi ID | InChI=1S/C28H30ClN5O3S/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-7-19-6-4-5-8-30-19)21-12-20(22(29)13-23(21)32-28(25)36)27(35)33-24-14-31-38-34-24/h10-14,19,30H,4-9H2,1-3H3,(H,32,36)(H,33,34,35)/t19-/m0/s1 |
PubChem CID | 44395462 |
ChEMBL | CHEMBL433594 |
IUPHAR | N/A |
BindingDB | 50155361 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
21457 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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