Bioactive Compound Details
| BioID | bio3494 |
|---|---|
| Name | SARACATINIB DIFUMARATE |
| ChEMBL ID | CHEMBL2105677 |
| Molecular Formula | C35H40ClN5O13 |
| Molecular Weight | 774.18 |
| Molecular Weight (Monoisotopic) | 541.2092 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar18 |
| Target Name | Serine/threonine-protein kinase cot (COT) |
| Synonyms | AZD0530 DIFUMARATE|SARACATINIB DIFUMARATE|SARACATINIB FUMARATE |
| Smiles | CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c(Cl)ccc5c4OCO5)ncnc3c2)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O |
| Inchi | InChI=1S/C27H32ClN5O5.2C4H4O4/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22;2*5-3(6)1-2-4(7)8/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+ |
| Inchi Key | OQXMMAQEMJUIQM-LVEZLNDCSA-N |
| Molecular Species | NEUTRAL |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.68 |
| Records Key | ['SARACATINIB DIFUMARATE'] |
| Records Name | ['SARACATINIB DIFUMARATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
