| BioID | bio3468 |
|---|
| Name | ERTIPROTAFIB |
|---|
| ChEMBL ID | CHEMBL184041 |
|---|
| Molecular Formula | C31H27BrO3S |
|---|
| Molecular Weight | 559.53 |
|---|
| Molecular Weight (Monoisotopic) | 558.0864 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Phase 2 |
|---|
| Target ID | Tar18 |
|---|
| Target Name | Serine/threonine-protein kinase cot (COT) |
|---|
| Synonyms | ERTIPROTAFIB|PTP-112 |
|---|
| Smiles | Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O |
|---|
| Inchi | InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1 |
|---|
| Inchi Key | FONCZICQWCUXEB-RUZDIDTESA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 19.0 |
|---|
| Np Likeness Score | -0.1 |
|---|
| Records Key | ['ertiprotafib', '1, ertiprotafib', 'Ertiprotafib', '1, ertiprotafib', 'ERTIPROTAFIB', '17', '11', 'ertiprotafib', 'Ertiprotafib', '9', 'Fig 1, cpd 4', 'Ertiprotafib', 'Ertiprotafib'] |
|---|
| Records Name | ['(R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropanoic acid', '2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropanoic acid', 'Ertiprotafib', '2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropanoic acid', 'ERTIPROTAFIB', 'Ertiprotafib', 'ertiprotafib', 'ertiprotafib', 'Ertiprotafib', '2-[4-(9-Bromo-2,3-dimethyl-naphtho[2,3-b]thiophen-4-yl)-2,6-dimethyl-phenoxy]-3-phenyl-propionic acid', '(R)-2-(4-(9-bromo-2,3-dimethylnaphtho[2,3-b]thiophen-4-yl)-2,6-dimethylphenoxy)-3-phenylpropanoic acid', 'Ertiprotafib', 'Ertiprotafib'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
