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Name | CHEMBL1593216 |
---|---|
Molecular formula | C18H20ClN3O2S |
IUPAC name | N-(3-chloro-4-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide |
Molecular weight | 377.887 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 3.7 |
Synonyms | NCGC00119699-01 HMS1856G10 AKOS002315827 N-(3-chloro-4-methylphenyl)-2-(4-oxo(3,5,6,7,8-pentahydroquinazolin-2-ylthio)) propanamide ST50403417 [ Show all ] |
Inchi Key | AGTATSZFZZNXDZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H20ClN3O2S/c1-10-7-8-12(9-14(10)19)20-16(23)11(2)25-18-21-15-6-4-3-5-13(15)17(24)22-18/h7-9,11H,3-6H2,1-2H3,(H,20,23)(H,21,22,24) |
PubChem CID | 135546866 |
ChEMBL | CHEMBL1593216 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
5186 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
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