| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3427022
Max Phase: Preclinical
Molecular Formula: C21H25N3O7
Molecular Weight: 431.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCC(C)C)n1
Standard InChI: InChI=1S/C21H25N3O7/c1-12(2)10-30-18-9-14(21(26)27)5-6-15(18)22-19(25)16-7-8-17(24(28)29)20(23-16)31-11-13(3)4/h5-9,12-13H,10-11H2,1-4H3,(H,22,25)(H,26,27)
Standard InChI Key: DVDWJRRALCINNP-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: 431.45 | Molecular Weight (Monoisotopic): 431.1693 | AlogP: 4.01 | #Rotatable Bonds: 10 |
| Polar Surface Area: 140.89 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.94 | CX Basic pKa: | CX LogP: 4.60 | CX LogD: 1.41 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.42 | Np Likeness Score: -1.26 |
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):