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Name | CHEMBL1357046 |
---|---|
Molecular formula | C19H17ClN4O2S |
IUPAC name | N-(3-chloro-2-methylphenyl)-2-[(4,12-dimethyl-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,9,11-pentaen-9-yl)sulfanyl]acetamide |
Molecular weight | 400.881 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.9 |
Synonyms | AKOS001563066 N-(3-chloro-2-methylphenyl)-2-[(2,5-dimethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)thio]acetamide MCULE-6396806985 CCG-74722 NCGC00122189-01 [ Show all ] |
Inchi Key | ADEOPIWYDQUJOO-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H17ClN4O2S/c1-10-7-15-17(26-10)8-16-19(23-22-12(3)24(15)16)27-9-18(25)21-14-6-4-5-13(20)11(14)2/h4-8H,9H2,1-3H3,(H,21,25) |
PubChem CID | 16018776 |
ChEMBL | CHEMBL1357046 |
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 |
---|---|---|---|---|---|
2176 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
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