| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4573486
Max Phase: Preclinical
Molecular Formula: C21H16N4O5
Molecular Weight: 404.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCc1ccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)cc1
Standard InChI: InChI=1S/C21H16N4O5/c1-2-12-3-5-13(6-4-12)15-11-14(21(26)27)7-8-16(15)22-17-9-10-18(25(28)29)20-19(17)23-30-24-20/h3-11,22H,2H2,1H3,(H,26,27)
Standard InChI Key: OXFJAFTXEKWKPN-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: 404.38 | Molecular Weight (Monoisotopic): 404.1121 | AlogP: 4.80 | #Rotatable Bonds: 6 |
| Polar Surface Area: 131.39 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.57 | CX Basic pKa: | CX LogP: 4.97 | CX LogD: 2.22 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.35 | Np Likeness Score: -1.05 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):