| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276958
Max Phase: Preclinical
Molecular Formula: C26H18N2O4
Molecular Weight: 422.44
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)c2nc3c(c(-c4ccccc4)c2N)c(=O)oc2ccccc23)cc1
Standard InChI: InChI=1S/C26H18N2O4/c1-31-17-13-11-16(12-14-17)25(29)24-22(27)20(15-7-3-2-4-8-15)21-23(28-24)18-9-5-6-10-19(18)32-26(21)30/h2-14H,27H2,1H3
Standard InChI Key: UHURYCZIGJYZPP-UHFFFAOYSA-N
Associated Targets(Human)
Muscleblind-like protein 1 34431 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: 422.44 | Molecular Weight (Monoisotopic): 422.1267 | AlogP: 4.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.42 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.31 | CX LogP: 5.25 | CX LogD: 5.25 |
| Aromatic Rings: 5 | Heavy Atoms: 32 | QED Weighted: 0.25 | Np Likeness Score: -0.22 |
References
| 1. Ahamad S, Bhat SA.. (2022) The Emerging Landscape of Small-Molecule Therapeutics for the Treatment of Huntington's Disease., 65 (24.0): [PMID:36490325] [10.1021/acs.jmedchem.2c00799] |
Source
Source(1):