| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA410336
Max Phase: Preclinical
Molecular Formula: C22H32O2
Molecular Weight: 328.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](C)C=C4CC(O)CC[C@]4(C)[C@H]3CC[C@@]21C
Standard InChI: InChI=1S/C22H32O2/c1-5-22(24)11-8-18-19-14(2)12-15-13-16(23)6-9-20(15,3)17(19)7-10-21(18,22)4/h1,12,14,16-19,23-24H,6-11,13H2,2-4H3/t14-,16?,17+,18+,19-,20+,21+,22+/m1/s1
Standard InChI Key: PFZBAXKEXZKQEQ-ZFSPCCOXSA-N
Associated Targets(Human)
Testis-specific androgen-binding protein 320 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: 328.50 | Molecular Weight (Monoisotopic): 328.2402 | AlogP: 3.92 | #Rotatable Bonds: 0 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.24 | CX LogD: 3.24 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.52 | Np Likeness Score: 2.01 |
References
| 1. Cherkasov A, Ban F, Santos-Filho O, Thorsteinson N, Fallahi M, Hammond GL.. (2008) An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin., 51 (7): [PMID:18330978] [10.1021/jm7011485] |
Source
Source(1):