| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286777
Max Phase: Preclinical
Molecular Formula: C29H26N2O7
Molecular Weight: 514.53
Associated Items:
Representations
Canonical SMILES: CC(C)COc1cc(C(=O)O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(OCc2ccc3ccccc3c2)c1
Standard InChI: InChI=1S/C29H26N2O7/c1-18(2)16-37-26-15-23(29(33)34)9-11-24(26)30-28(32)22-10-12-25(31(35)36)27(14-22)38-17-19-7-8-20-5-3-4-6-21(20)13-19/h3-15,18H,16-17H2,1-2H3,(H,30,32)(H,33,34)
Standard InChI Key: YKSDDGKVSDIIKZ-UHFFFAOYSA-N
Associated Targets(Human)
Myc proto-oncogene protein 1178 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 514.53 | Molecular Weight (Monoisotopic): 514.1740 | AlogP: 6.31 | #Rotatable Bonds: 10 |
| Polar Surface Area: 128.00 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.94 | CX Basic pKa: | CX LogP: 6.31 | CX LogD: 3.11 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.19 | Np Likeness Score: -1.06 |
References
| 1. Algar S, Martín-Martínez M, González-Muñiz R.. (2021) Evolution in non-peptide α-helix mimetics on the road to effective protein-protein interaction modulators., 211 [PMID:33423841] [10.1016/j.ejmech.2020.113015] |
Source
Source(1):