Compound 6
Identifiers
- Canonical SMILES:
CCOC(=O)c1cnn(c1NC(=O)c1cc2nc(cc(n2n1)C(F)(F)Cl)-c1ccco1)-c1ccccc1
- IUPAC name:
ethyl 5-[[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
- InChi:
InChI=1S/C24H17ClF2N6O4/c1-2-36-23(35)15-13-28-32(14-7-4-3-5-8-14)21(15)30-22(34)17-12-20-29-16(18-9-6-10-37-18)11-19(24(25,26)27)33(20)31-17/h3-13H,2H2,1H3,(H,30,34)
- InChiKey:
YPPNLSKYXDXQGD-UHFFFAOYSA-N
External links
 1045147 |
 CHEMBL3222135 |
 896872 |
External search
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Bibliography (1)
| Publication | Name |
|---|---|
| Kiessling A, Wiesinger R, Sperl B, Berg T. . Selective inhibition of c-Myc/Max dimerization by a pyrazolo[1,5-a]pyrimidine. ChemMedChem. | 1 |
Pharmacological data
| Biochemical tests | Cellular tests | PK tests | Cytotoxicity tests |
|---|---|---|---|
| 1 | 0 | 0 | 0 |
Targets
| PPI family | Best activity | Diseases | MMoA |
|---|---|---|---|
| Myc / Max | 4.57 | cancer | Inhibition |
Physicochemical filters
| Descriptor | Lipinski's RO5 | Veber | Pfizer's 3/75 | |
|---|---|---|---|---|
| Compliance | ||||
| MW | 526.10 g/mol | |||
| HBA | 10 | |||
| HBD | 1 | |||
| HBA + HBD | 11 | |||
| AlogP | 5.41 | |||
| TPSA | 116.55 | |||
| RB | 8 |