| BioID | bio2730 |
|---|
| Name | ULIXERTINIB |
|---|
| ChEMBL ID | CHEMBL3590106 |
|---|
| Molecular Formula | C21H22Cl2N4O2 |
|---|
| Molecular Weight | 433.34 |
|---|
| Molecular Weight (Monoisotopic) | 432.112 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | BVD-523|BVD-ERK|ULIXERTINIB|Ulixertinib|VRT-752271 |
|---|
| Smiles | CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1 |
|---|
| Inchi | InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1 |
|---|
| Inchi Key | KSERXGMCDHOLSS-LJQANCHMSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 303.0 |
|---|
| Bioactivities | 346.0 |
|---|
| Np Likeness Score | -1.08 |
|---|
| Records Key | ['2', 'Ulixertinib', 'ulixertinib', 'ULIXERTINIB', 'BVD-523', '2; BVD-523', '3; BVD-523', 'Ulixertinib', 'ULIXERTINIB', 'BVD-523', 'ulixertinib', 'Ulixertinib', 'BVD523; BVD', 'Ulixertinib', 'BVD-523', '16; BVD-523', 'EOS101183'] |
|---|
| Records Name | ['(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide', 'Ulixertinib', 'ulixertinib', 'ULIXERTINIB', 'Ulixertinib', '(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide', 'Ulixertinib', 'Ulixertinib', 'ULIXERTINIB', '(S)-4-(5-chloro-2-(isopropylamino)pyridin-4-yl)-N-(1-(3-chlorophenyl)-2-hydroxyethyl)-1H-pyrrole-2-carboxamide', 'ulixertinib', 'Ulixertinib', 'N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[5-chloro-2-(propan-2-ylamino)pyridin-4-yl]-1H-pyrrole-2-carboxamide', 'Ulixertinib', 'Ullxertin', 'Ulixertinib', 'ulixertinib'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
