| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3220141
Max Phase: Preclinical
Molecular Formula: C19H17NO4
Molecular Weight: 323.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1cccc(C2=CC3(CCCC3)Oc3cc(O)ccc32)c1
Standard InChI: InChI=1S/C19H17NO4/c21-15-6-7-16-17(13-4-3-5-14(10-13)20(22)23)12-19(8-1-2-9-19)24-18(16)11-15/h3-7,10-12,21H,1-2,8-9H2
Standard InChI Key: GUMSUGFGYYPDBC-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: 323.35 | Molecular Weight (Monoisotopic): 323.1158 | AlogP: 4.44 | #Rotatable Bonds: 2 |
| Polar Surface Area: 72.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.92 | CX Basic pKa: | CX LogP: 4.52 | CX LogD: 4.51 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.65 | Np Likeness Score: 0.27 |
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):