| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3427021
Max Phase: Preclinical
Molecular Formula: C20H24N4O7
Molecular Weight: 432.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)COc1nc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1
Standard InChI: InChI=1S/C20H24N4O7/c1-11(2)9-30-18-14(5-6-15(23-18)20(26)27)21-17(25)13-7-8-16(24(28)29)19(22-13)31-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,21,25)(H,26,27)
Standard InChI Key: PGOIJPWFDTUDBN-UHFFFAOYSA-N
Associated Targets(Human)
c-Myc/Max 258 Activities
Daudi 625 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 432.43 | Molecular Weight (Monoisotopic): 432.1645 | AlogP: 3.40 | #Rotatable Bonds: 10 |
| Polar Surface Area: 153.78 | Molecular Species: ACID | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 0.97 | CX Basic pKa: 5.69 | CX LogP: 4.36 | CX LogD: 1.13 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.42 | Np Likeness Score: -1.07 |
References
| 1. Jung KY, Wang H, Teriete P, Yap JL, Chen L, Lanning ME, Hu A, Lambert LJ, Holien T, Sundan A, Cosford ND, Prochownik EV, Fletcher S.. (2015) Perturbation of the c-Myc-Max protein-protein interaction via synthetic α-helix mimetics., 58 (7): [PMID:25734936] [10.1021/jm501440q] |
Source
Source(1):