| BioID | bio3410 |
|---|
| Name | NEDISERTIB |
|---|
| ChEMBL ID | CHEMBL4297629 |
|---|
| Molecular Formula | C24H21ClFN5O3 |
|---|
| Molecular Weight | 481.92 |
|---|
| Molecular Weight (Monoisotopic) | 481.1317 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 1 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | M-3814|M3814|MSC 2490484A|MSC-2490484A|MSC2490484A|NEDISERTIB|PEPOSERTIB |
|---|
| Smiles | COc1ccc([C@@H](O)c2cc(-c3ncnc4cc(N5CCOCC5)ccc34)c(F)cc2Cl)nn1 |
|---|
| Inchi | InChI=1S/C24H21ClFN5O3/c1-33-22-5-4-20(29-30-22)24(32)16-11-17(19(26)12-18(16)25)23-15-3-2-14(10-21(15)27-13-28-23)31-6-8-34-9-7-31/h2-5,10-13,24,32H,6-9H2,1H3/t24-/m0/s1 |
|---|
| Inchi Key | MOWXJLUYGFNTAL-DEOSSOPVSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | -1.26 |
|---|
| Records Key | ['M3814', 'NEDISERTIB', 'M3814', '37; M3814', 'Nedisertib', 'EOS100313'] |
|---|
| Records Name | ['M3814', 'NEDISERTIB', 'M3814', '(1S)-(2-chloro-4-fluoro-5-(7-morpholinoquinazolin-4-yl)phenyl)(6-methoxypyridazin-3-yl)methanol', 'Nedisertib', 'M3814'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
