| BioID | bio3516 |
|---|
| Name | LONDAMOCITINIB |
|---|
| ChEMBL ID | CHEMBL4447181 |
|---|
| Molecular Formula | C28H31F2N7O4S |
|---|
| Molecular Weight | 599.66 |
|---|
| Molecular Weight (Monoisotopic) | 599.2126 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | LONDAMOCITINIB |
|---|
| Smiles | COC[C@H](C(=O)Nc1cccc2c(-c3nc(Nc4cccc(S(C)(=O)=O)c4F)ncc3F)c[nH]c12)N1CCN(C)CC1 |
|---|
| Inchi | InChI=1S/C28H31F2N7O4S/c1-36-10-12-37(13-11-36)22(16-41-2)27(38)33-21-8-4-6-17-18(14-31-26(17)21)25-19(29)15-32-28(35-25)34-20-7-5-9-23(24(20)30)42(3,39)40/h4-9,14-15,22,31H,10-13,16H2,1-3H3,(H,33,38)(H,32,34,35)/t22-/m1/s1 |
|---|
| Inchi Key | JNUZADQZHYFJGW-JOCHJYFZSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 8.0 |
|---|
| Bioactivities | 53.0 |
|---|
| Np Likeness Score | -1.21 |
|---|
| Records Key | ['17; Ex 35', 'LONDAMOCITINIB', '16; AZD4604'] |
|---|
| Records Name | ['(2R)-N-(3-(5-fluoro-2-(2-fluoro-3-(methylsulfonyl)phenylamino)pyrimidin-4-yl)-1H-indol-7-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide', 'LONDAMOCITINIB', '(2R)-N-(3-{5-fluoro-2-[2-fluoro-3-(methanesulfonyl)anilino]-pyrimidin-4-yl}-1H-indol-7-yl)-3-methoxy-2-(4-methylpiperazin-1-yl)propanamide'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
