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Name | AC1MKYJM |
---|---|
Molecular formula | C19H22N6O4S |
IUPAC name | N-[3-[[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]phenyl]propanamide |
Molecular weight | 430.483 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 1.0 |
Synonyms | N-[3-[[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetyl]amino]phenyl]propanamide Oprea1_479782 MCULE-7256503504 AKOS000689922 N-{3-[2-(1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylsulfanyl)-acetylamino]-phenyl}-propionamide [ Show all ] |
Inchi Key | HLYRLIQRILRLIF-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H22N6O4S/c1-5-13(26)20-11-7-6-8-12(9-11)21-14(27)10-30-18-22-16-15(23(18)2)17(28)25(4)19(29)24(16)3/h6-9H,5,10H2,1-4H3,(H,20,26)(H,21,27) |
PubChem CID | 3186626 |
ChEMBL | CHEMBL1470851 |
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 |
---|---|---|---|---|---|
118376 | Relaxin receptor 1 | Q9HBX9 | RXFP1 | Homo sapiens (Human) | 757 |
118378 | Relaxin receptor 2 | Q8WXD0 | RXFP2 | Homo sapiens (Human) | 754 |
118377 | Vasopressin V1b receptor | P47901 | AVPR1B | Homo sapiens (Human) | 424 |
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