| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4567694
Max Phase: Preclinical
Molecular Formula: C24H18N2O4
Molecular Weight: 398.42
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)c1ccc(-c2cc(-c3ccc(C(N)=O)cc3)cc(-c3ccco3)n2)cc1
Standard InChI: InChI=1S/C24H18N2O4/c1-29-24(28)18-10-6-16(7-11-18)20-13-19(14-21(26-20)22-3-2-12-30-22)15-4-8-17(9-5-15)23(25)27/h2-14H,1H3,(H2,25,27)
Standard InChI Key: QAAGMYQISHUZHH-UHFFFAOYSA-N
Associated Targets(Human)
c-Myc/Max 258 Activities
Myc proto-oncogene protein 1178 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: Unknown | 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 |
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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: 398.42 | Molecular Weight (Monoisotopic): 398.1267 | AlogP: 4.56 | #Rotatable Bonds: 5 |
| Polar Surface Area: 95.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.59 | CX LogP: 4.38 | CX LogD: 4.38 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.50 | Np Likeness Score: -0.93 |
References
| 1. (2016) Small molecule c-myc inhibitors, |
Source
Source(1):