| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3220416
Max Phase: Preclinical
Molecular Formula: C16H17NO2
Molecular Weight: 255.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)CC(c2cccnc2)c2ccc(O)cc2O1
Standard InChI: InChI=1S/C16H17NO2/c1-16(2)9-14(11-4-3-7-17-10-11)13-6-5-12(18)8-15(13)19-16/h3-8,10,14,18H,9H2,1-2H3
Standard InChI Key: ANSCGVGHJYSAFZ-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: 255.32 | Molecular Weight (Monoisotopic): 255.1259 | AlogP: 3.48 | #Rotatable Bonds: 1 |
| Polar Surface Area: 42.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.61 | CX Basic pKa: 5.31 | CX LogP: 2.90 | CX LogD: 2.89 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.85 | Np Likeness Score: 0.92 |
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):