| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4573333
Max Phase: Preclinical
Molecular Formula: C19H15N3O3
Molecular Weight: 333.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(=O)c1cc([N+](=O)[O-])ccc1Nc1ccccc1-c1ccccc1
Standard InChI: InChI=1S/C19H15N3O3/c20-19(23)16-12-14(22(24)25)10-11-18(16)21-17-9-5-4-8-15(17)13-6-2-1-3-7-13/h1-12,21H,(H2,20,23)
Standard InChI Key: PLBKWYOWJLYLBO-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: 333.35 | Molecular Weight (Monoisotopic): 333.1113 | AlogP: 4.10 | #Rotatable Bonds: 5 |
| Polar Surface Area: 98.26 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.32 | CX Basic pKa: | CX LogP: 5.15 | CX LogD: 5.15 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.54 | Np Likeness Score: -1.25 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):