| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5287439
Max Phase: Preclinical
Molecular Formula: C17H14ClNO2
Molecular Weight: 299.76
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)n2c(C)cc3cc(Cl)ccc32)cc1
Standard InChI: InChI=1S/C17H14ClNO2/c1-11-9-13-10-14(18)5-8-16(13)19(11)17(20)12-3-6-15(21-2)7-4-12/h3-10H,1-2H3
Standard InChI Key: QRNXCXNJRQTIAH-UHFFFAOYSA-N
Associated Targets(Human)
LNCaP C4-2B 271 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: 299.76 | Molecular Weight (Monoisotopic): 299.0713 | AlogP: 4.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 31.23 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.89 | CX LogD: 3.89 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.71 | Np Likeness Score: -1.21 |
References
| 1. Ha S, Luo G, Xiang H.. (2022) A Comprehensive Overview of Small-Molecule Androgen Receptor Degraders: Recent Progress and Future Perspectives., 65 (24.0): [PMID:36459083] [10.1021/acs.jmedchem.2c01487] |
Source
Source(1):