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Name | CHEMBL120432 |
---|---|
Molecular formula | C28H28ClN5O3 |
IUPAC name | 4-[2-[(2S)-azetidin-2-yl]ethoxy]-7-chloro-2-oxo-N-pyrimidin-4-yl-3-(3,4,5-trimethylphenyl)-1H-quinoline-6-carboxamide |
Molecular weight | 518.014 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | (S)-4-(2-(azetidin-2-yl)ethoxy)-7-chloro-2-oxo-N-(pyrimidin-4-yl)-3-(3,4,5-trimethylphenyl)-1,2-dihydroquinoline-6-carboxamide 4-((S)-2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide BDBM50098391 N-(4-Pyrimidinyl)-2-oxo-3-(3,4,5-trimethylphenyl)-4-[2-[(2S)-azetidine-2alpha-yl]ethoxy]-7-chloro-1,2-dihydroquinoline-6-carboxamide 4-(2-Azetidin-2-yl-ethoxy)-7-chloro-2-oxo-3-(3,4,5-trimethyl-phenyl)-1,2-dihydro-quinoline-6-carboxylic acid pyrimidin-4-ylamide |
Inchi Key | XESORVDKNANWAB-IBGZPJMESA-N |
Inchi ID | InChI=1S/C28H28ClN5O3/c1-15-10-18(11-16(2)17(15)3)25-26(37-9-6-19-4-8-31-19)21-12-20(22(29)13-23(21)33-28(25)36)27(35)34-24-5-7-30-14-32-24/h5,7,10-14,19,31H,4,6,8-9H2,1-3H3,(H,33,36)(H,30,32,34,35)/t19-/m0/s1 |
PubChem CID | 10649568 |
ChEMBL | CHEMBL120432 |
IUPHAR | N/A |
BindingDB | 50098391 |
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 |
---|---|---|---|---|---|
389933 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
389934 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
389935 | Gonadotropin-releasing hormone receptor | Q8SPZ1 | GNRHR | Macaca mulatta (Rhesus macaque) | 59 |
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