| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2441100
Max Phase: Preclinical
Molecular Formula: C21H20N2O3
Molecular Weight: 348.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2)c1
Standard InChI: InChI=1S/C21H20N2O3/c1-23(2)17-5-3-4-15(14-17)21(25)22-16-6-10-19(11-7-16)26-20-12-8-18(24)9-13-20/h3-14,24H,1-2H3,(H,22,25)
Standard InChI Key: NCFFXDMBPHEEMR-UHFFFAOYSA-N
Associated Targets(non-human)
Androgen Receptor 399 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 348.40 | Molecular Weight (Monoisotopic): 348.1474 | AlogP: 4.50 | #Rotatable Bonds: 5 |
| Polar Surface Area: 61.80 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.70 | CX Basic pKa: 3.62 | CX LogP: 4.37 | CX LogD: 4.37 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -1.05 |
References
| 1. Yamada A, Fujii S, Mori S, Kagechika H.. (2013) Design and Synthesis of 4-(4-Benzoylaminophenoxy)phenol Derivatives As Androgen Receptor Antagonists., 4 (10): [PMID:24900588] [10.1021/ml4001744] |
Source
Source(1):