| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3427054
Max Phase: Preclinical
Molecular Formula: C25H24N2O7
Molecular Weight: 464.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1
Standard InChI: InChI=1S/C25H24N2O7/c1-16(2)14-33-22-13-19(25(29)30)8-10-20(22)26-24(28)18-9-11-21(27(31)32)23(12-18)34-15-17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3,(H,26,28)(H,29,30)
Standard InChI Key: BZZIHOXLFRPPPC-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: 464.47 | Molecular Weight (Monoisotopic): 464.1584 | AlogP: 5.16 | #Rotatable Bonds: 10 |
| Polar Surface Area: 128.00 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.94 | CX Basic pKa: | CX LogP: 5.32 | CX LogD: 2.12 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.31 | Np Likeness Score: -1.17 |
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):