| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3220417
Max Phase: Preclinical
Molecular Formula: C15H16O2S
Molecular Weight: 260.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC(c2cccs2)c2ccc(O)cc2O1
Standard InChI: InChI=1S/C15H16O2S/c1-15(2)9-12(14-4-3-7-18-14)11-6-5-10(16)8-13(11)17-15/h3-8,12,16H,9H2,1-2H3
Standard InChI Key: KPPOOSMPPZFJOZ-UHFFFAOYSA-N
Associated Targets(non-human)
C3H 10T1/2 488 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: 260.36 | Molecular Weight (Monoisotopic): 260.0871 | AlogP: 4.15 | #Rotatable Bonds: 1 |
| Polar Surface Area: 29.46 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.55 | CX Basic pKa: | CX LogP: 4.03 | CX LogD: 4.02 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.83 | Np Likeness Score: 0.48 |
References
| 1. Oh S, Cho SW, Yang J, Sun HJ, Chung YS, Shin CS, Park SB. (2011) Discovery of a novel benzopyranyl compound as a potent in vitro and in vivo osteogenic agent, 2 (1): [10.1039/C0MD00149J] |
Source
Source(1):