Chemical Component Summary | |
|---|---|
| Name | Pexmetinib |
| Synonyms | N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-N'-[(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-indazol-5-yl]oxy}phenyl)methyl]urea |
| Identifiers | 1-[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[[5-fluoranyl-2-[1-(2-hydroxyethyl)indazol-5-yl]oxy-phenyl]methyl]urea |
| Formula | C31 H33 F N6 O3 |
| Molecular Weight | 556.631 |
| Type | NON-POLYMER |
| Isomeric SMILES | Cc1ccc(cc1)n2c(cc(n2)C(C)(C)C)NC(=O)NCc3cc(ccc3Oc4ccc5c(c4)cnn5CCO)F |
| InChI | InChI=1S/C31H33FN6O3/c1-20-5-8-24(9-6-20)38-29(17-28(36-38)31(2,3)4)35-30(40)33-18-22-15-23(32)7-12-27(22)41-25-10-11-26-21(16-25)19-34-37(26)13-14-39/h5-12,15-17,19,39H,13-14,18H2,1-4H3,(H2,33,35,40) |
| InChIKey | LNMRSSIMGCDUTP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 74 |
| Chiral Atom Count | 0 |
| Bond Count | 78 |
| Aromatic Bond Count | 27 |
Drug Info: DrugBank
| DrugBank ID | DB16294 |
|---|---|
| Name | Pexmetinib |
| Groups | investigational |
| Description | Pexmetinib is under investigation in clinical trial NCT04074967 (Study of ARRY-614 Plus Either Nivolumab or Ipilimumab). |
| Synonyms | Pexmetinib |
| Categories |
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| CAS number | 945614-12-0 |
