| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286270
Max Phase: Preclinical
Molecular Formula: C26H17BrN2O4
Molecular Weight: 501.34
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)c2nc3c(c(-c4ccccc4)c2N)c(=O)oc2ccc(Br)cc23)cc1
Standard InChI: InChI=1S/C26H17BrN2O4/c1-32-17-10-7-15(8-11-17)25(30)24-22(28)20(14-5-3-2-4-6-14)21-23(29-24)18-13-16(27)9-12-19(18)33-26(21)31/h2-13H,28H2,1H3
Standard InChI Key: JHBXZZFQGWIPRD-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: 501.34 | Molecular Weight (Monoisotopic): 500.0372 | AlogP: 5.59 | #Rotatable Bonds: 4 |
| Polar Surface Area: 95.42 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 0.25 | CX LogP: 6.02 | CX LogD: 6.02 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.20 | Np Likeness Score: -0.29 |
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):