OSTEOPROTEGERIN
ID: ALA2397332
Max Phase: Preclinical
Molecular Formula: C18H32O2
Molecular Weight: 280.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCC#CCCCCCC(=O)O
Standard InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-10,13-17H2,1H3,(H,19,20)
Standard InChI Key: XXUPLYBCNPLTIW-UHFFFAOYSA-N
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: 280.45 | Molecular Weight (Monoisotopic): 280.2402 | AlogP: 5.56 | #Rotatable Bonds: 13 |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.56 | CX Basic pKa: | CX LogP: 6.73 | CX LogD: 3.97 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.35 | Np Likeness Score: 0.66 |
References
| 1. Marshall AJ, Lin JM, Grey A, Reid IR, Cornish J, Denny WA.. (2013) Long-chain triazolyl acids as inhibitors of osteoclastogenesis., 21 (14): [PMID:23726411] [10.1016/j.bmc.2013.05.013] |
Source
Source(1):