| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269565
Max Phase: Preclinical
Molecular Formula: C19H15NO3
Molecular Weight: 305.33
Associated Items:
Representations
Canonical SMILES: Cc1cc(=O)c2c(c1=O)c1c(=O)c3ccccc3c1n2C(C)C
Standard InChI: InChI=1S/C19H15NO3/c1-9(2)20-16-11-6-4-5-7-12(11)19(23)14(16)15-17(20)13(21)8-10(3)18(15)22/h4-9H,1-3H3
Standard InChI Key: JTIHTJNJCDOGLQ-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 |
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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 |
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Properties
| Molecular Weight: 305.33 | Molecular Weight (Monoisotopic): 305.1052 | AlogP: 2.79 | #Rotatable Bonds: 1 |
| 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: 2.94 | CX LogD: 2.94 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.54 | Np Likeness Score: 0.05 |
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):