| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4567937
Max Phase: Preclinical
Molecular Formula: C19H13N3O2
Molecular Weight: 315.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cc(Nc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-]
Standard InChI: InChI=1S/C19H13N3O2/c20-13-15-12-16(10-11-19(15)22(23)24)21-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-12,21H
Standard InChI Key: BSUOANVAGKVYDM-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: 315.33 | Molecular Weight (Monoisotopic): 315.1008 | AlogP: 4.88 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.96 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.86 | CX LogD: 4.86 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.55 | Np Likeness Score: -1.27 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):