| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3220674
Max Phase: Preclinical
Molecular Formula: C16H20N2O2
Molecular Weight: 272.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1n[nH]c(C)c1C1CC(C)(C)Oc2cc(O)ccc21
Standard InChI: InChI=1S/C16H20N2O2/c1-9-15(10(2)18-17-9)13-8-16(3,4)20-14-7-11(19)5-6-12(13)14/h5-7,13,19H,8H2,1-4H3,(H,17,18)
Standard InChI Key: SWMVPTMNOLXOKX-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: 272.35 | Molecular Weight (Monoisotopic): 272.1525 | AlogP: 3.43 | #Rotatable Bonds: 1 |
| Polar Surface Area: 58.14 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.59 | CX Basic pKa: 3.88 | CX LogP: 2.75 | CX LogD: 2.75 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.84 | Np Likeness Score: 0.62 |
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):