| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4588378
Max Phase: Preclinical
Molecular Formula: C20H16N2O4
Molecular Weight: 348.36
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1-c1ccccc1
Standard InChI: InChI=1S/C20H16N2O4/c1-26-20(23)17-13-15(22(24)25)11-12-19(17)21-18-10-6-5-9-16(18)14-7-3-2-4-8-14/h2-13,21H,1H3
Standard InChI Key: GOSMWWFNLSCVQT-UHFFFAOYSA-N
Associated Targets(Human)
c-Myc/Max 258 Activities
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: 348.36 | Molecular Weight (Monoisotopic): 348.1110 | AlogP: 4.79 | #Rotatable Bonds: 5 |
| Polar Surface Area: 81.47 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.30 | CX LogD: 6.30 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.41 | Np Likeness Score: -1.09 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):