| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3220406
Max Phase: Preclinical
Molecular Formula: C19H21NO2
Molecular Weight: 295.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1cccc(C2=CC(C)(C)Oc3cc(O)ccc32)c1
Standard InChI: InChI=1S/C19H21NO2/c1-19(2)12-17(13-6-5-7-14(10-13)20(3)4)16-9-8-15(21)11-18(16)22-19/h5-12,21H,1-4H3
Standard InChI Key: BGSAVZDFYBDMDJ-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: 295.38 | Molecular Weight (Monoisotopic): 295.1572 | AlogP: 4.06 | #Rotatable Bonds: 2 |
| Polar Surface Area: 32.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.43 | CX Basic pKa: 4.61 | CX LogP: 4.11 | CX LogD: 4.11 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.91 | Np Likeness Score: 0.71 |
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):