| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5175338
Max Phase: Preclinical
Molecular Formula: C13H12Cl2F3NO
Molecular Weight: 326.14
Associated Items:
Representations
Canonical SMILES: OC1(C(F)(F)F)CCCC2c3cc(Cl)c(Cl)cc3NC21
Standard InChI: InChI=1S/C13H12Cl2F3NO/c14-8-4-7-6-2-1-3-12(20,13(16,17)18)11(6)19-10(7)5-9(8)15/h4-6,11,19-20H,1-3H2
Standard InChI Key: YSUXNERJJMTAQJ-UHFFFAOYSA-N
Associated Targets(non-human)
Androgen Receptor 5522 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: 326.14 | Molecular Weight (Monoisotopic): 325.0248 | AlogP: 4.35 | #Rotatable Bonds: 0 |
| Polar Surface Area: 32.26 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.76 | CX Basic pKa: 2.31 | CX LogP: 3.78 | CX LogD: 3.78 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.74 | Np Likeness Score: 0.51 |
References
| 1. Xiang W, Wang S.. (2022) Therapeutic Strategies to Target the Androgen Receptor., 65 (13.0): [PMID:35786895] [10.1021/acs.jmedchem.2c00716] |
Source
Source(1):