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Name | CHEMBL416651 |
---|---|
Molecular formula | C29H31ClN6O3 |
IUPAC name | 1-[7-chloro-3-(3,5-dimethylphenyl)-2-oxo-4-[2-[(2S)-piperidin-2-yl]ethoxy]-1H-quinolin-6-yl]-3-pyrazin-2-ylurea |
Molecular weight | 547.056 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 4 |
XlogP | 3.6 |
Synonyms | BDBM50090549 1-[7-Chloro-3-(3,5-dimethyl-phenyl)-2-oxo-4-((S)-2-piperidin-2-yl-ethoxy)-1,2-dihydro-quinolin-6-yl]-3-pyrazin-2-yl-urea |
Inchi Key | ADRCRSPDCZNNQH-FQEVSTJZSA-N |
Inchi ID | InChI=1S/C29H31ClN6O3/c1-17-11-18(2)13-19(12-17)26-27(39-10-6-20-5-3-4-7-32-20)21-14-24(22(30)15-23(21)34-28(26)37)35-29(38)36-25-16-31-8-9-33-25/h8-9,11-16,20,32H,3-7,10H2,1-2H3,(H,34,37)(H2,33,35,36,38)/t20-/m0/s1 |
PubChem CID | 44292950 |
ChEMBL | CHEMBL416651 |
IUPHAR | N/A |
BindingDB | 50090549 |
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 |
---|---|---|---|---|---|
2998 | Gonadotropin-releasing hormone receptor | P30968 | GNRHR | Homo sapiens (Human) | 328 |
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