| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269423
Max Phase: Preclinical
Molecular Formula: C24H16FNO3
Molecular Weight: 385.39
Associated Items:
Representations
Canonical SMILES: CC(C)n1c2c(=O)c(-c3ccc(F)cc3)cc(=O)c2c2c(=O)c3ccccc3c21
Standard InChI: InChI=1S/C24H16FNO3/c1-12(2)26-21-15-5-3-4-6-16(15)23(28)20(21)19-18(27)11-17(24(29)22(19)26)13-7-9-14(25)10-8-13/h3-12H,1-2H3
Standard InChI Key: YIRCMVHKWGGAHX-UHFFFAOYSA-N
Associated Targets(Human)
CDC25A Tchem Dual specificity phosphatase Cdc25A (619 Activities)
CDC25C Tchem Dual specificity phosphatase Cdc25C (295 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 385.39 | Molecular Weight (Monoisotopic): 385.1114 | AlogP: 4.29 | #Rotatable Bonds: 2 |
| Polar Surface Area: 56.14 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.36 | CX LogD: 4.36 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.46 | Np Likeness Score: -0.28 |
References
| 1. Tao Y, Hao X, Ding X, Cherukupalli S, Song Y, Liu X, Zhan P.. (2020) Medicinal chemistry insights into novel CDC25 inhibitors., 201 [PMID:32603979] [10.1016/j.ejmech.2020.112374] |
Source
Source(1):