| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3349165
Max Phase: Preclinical
Molecular Formula: C20H30N2O2
Molecular Weight: 330.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(N)=O)CC[C@H]4[C@@H]3CC[C@@H]12
Standard InChI: InChI=1S/C20H30N2O2/c1-19-10-8-14-12(13(19)5-6-15(19)18(21)24)4-7-16-20(14,2)11-9-17(23)22(16)3/h9,11-16H,4-8,10H2,1-3H3,(H2,21,24)/t12-,13-,14-,15+,16+,19-,20+/m0/s1
Standard InChI Key: HICJAZWBDFYTCP-ALHYADCGSA-N
Associated Targets(Human)
Steroid 5-alpha-reductase 2 937 Activities
Associated Targets(non-human)
Androgen Receptor 5522 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 330.47 | Molecular Weight (Monoisotopic): 330.2307 | AlogP: 2.73 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.40 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.02 | CX LogD: 2.02 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.80 | Np Likeness Score: 1.83 |
References
| 1. Rasmusson GH, Reynolds GF, Steinberg NG, Walton E, Patel GF, Liang T, Cascieri MA, Cheung AH, Brooks JR, Berman C.. (1986) Azasteroids: structure-activity relationships for inhibition of 5 alpha-reductase and of androgen receptor binding., 29 (11): [PMID:3783591] [10.1021/jm00161a028] |
Source
Source(1):