| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA24033
Max Phase: Preclinical
Molecular Formula: C25H40N2O2
Molecular Weight: 400.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)CCNC(=O)[C@H]1CCC2C3CNC4=CC(=O)CC[C@]4(C)C3CC[C@@]21C
Standard InChI: InChI=1S/C25H40N2O2/c1-23(2,3)12-13-26-22(29)20-7-6-18-17-15-27-21-14-16(28)8-10-25(21,5)19(17)9-11-24(18,20)4/h14,17-20,27H,6-13,15H2,1-5H3,(H,26,29)/t17?,18?,19?,20-,24+,25-/m1/s1
Standard InChI Key: DRDSSIFDXYDAAO-YMYWZCFKSA-N
Associated Targets(Human)
3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I 15 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: 400.61 | Molecular Weight (Monoisotopic): 400.3090 | AlogP: 4.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.20 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.65 | CX LogD: 3.65 |
| Aromatic Rings: 0 | Heavy Atoms: 29 | QED Weighted: 0.74 | Np Likeness Score: 1.07 |
References
| 1. Kenny B, Ballard S, Blagg J, Fox D.. (1997) Pharmacological options in the treatment of benign prostatic hyperplasia., 40 (9): [PMID:9135028] [10.1021/jm960697s] |
Source
Source(1):