| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4587646
Max Phase: Preclinical
Molecular Formula: C20H13N3O5
Molecular Weight: 375.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccco3)c2)o1
Standard InChI: InChI=1S/C20H13N3O5/c21-20(24)19-8-7-17(28-19)13-10-15(12-3-5-14(6-4-12)23(25)26)22-16(11-13)18-2-1-9-27-18/h1-11H,(H2,21,24)
Standard InChI Key: IPSGBIPLBUREAP-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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 375.34 | Molecular Weight (Monoisotopic): 375.0855 | AlogP: 4.28 | #Rotatable Bonds: 5 |
| Polar Surface Area: 125.40 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.28 | CX LogP: 3.30 | CX LogD: 3.30 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.41 | Np Likeness Score: -1.44 |
References
| 1. (2016) Small molecule c-myc inhibitors, |
Source
Source(1):