| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4570566
Max Phase: Preclinical
Molecular Formula: C20H11N5O5
Molecular Weight: 401.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(-c2cc(C(=O)O)ccc2Nc2ccc([N+](=O)[O-])c3nonc23)c1
Standard InChI: InChI=1S/C20H11N5O5/c21-10-11-2-1-3-12(8-11)14-9-13(20(26)27)4-5-15(14)22-16-6-7-17(25(28)29)19-18(16)23-30-24-19/h1-9,22H,(H,26,27)
Standard InChI Key: MSXBTFNXXRIKCX-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: 401.34 | Molecular Weight (Monoisotopic): 401.0760 | AlogP: 4.11 | #Rotatable Bonds: 5 |
| Polar Surface Area: 155.18 | Molecular Species: ACID | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.57 | CX Basic pKa: | CX LogP: 3.86 | CX LogD: 1.11 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.37 | Np Likeness Score: -1.34 |
References
| 1. (2014) Potent analogues of the c-myc inhibitor 10074-g5 with improved cell permeability, |
Source
Source(1):