| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1628040
Max Phase: Preclinical
Molecular Formula: C18H24O2
Molecular Weight: 272.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1C[C@@H](O)[C@H]2O
Standard InChI: InChI=1S/C18H24O2/c1-18-9-8-13-12-5-3-2-4-11(12)6-7-14(13)15(18)10-16(19)17(18)20/h2-5,13-17,19-20H,6-10H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1
Standard InChI Key: RPVGDPSDDWBUMB-PNVOZDDCSA-N
Associated Targets(Human)
Corticosteroid binding globulin 274 Activities
Testis-specific androgen-binding protein 320 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 272.39 | Molecular Weight (Monoisotopic): 272.1776 | AlogP: 2.87 | #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: 13.62 | CX Basic pKa: | CX LogP: 2.97 | CX LogD: 2.97 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: 2.09 |
References
| 1. Good AC, Peterson SJ, Richards WG.. (1993) QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods., 36 (20): [PMID:8411009] [10.1021/jm00072a012] |
Source
Source(1):