| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041540
Max Phase: Preclinical
Molecular Formula: C10H16O2
Molecular Weight: 168.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OC1CC2C3CCC(C3)C2C1O
Standard InChI: InChI=1S/C10H16O2/c11-8-4-7-5-1-2-6(3-5)9(7)10(8)12/h5-12H,1-4H2
Standard InChI Key: XZDKBXDSOIMBNM-UHFFFAOYSA-N
Associated Targets(non-human)
Matrix protein 2 436 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: 168.24 | Molecular Weight (Monoisotopic): 168.1150 | AlogP: 0.77 | #Rotatable Bonds: 0 |
| Polar Surface Area: 40.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.75 | CX Basic pKa: | CX LogP: 0.50 | CX LogD: 0.50 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.56 | Np Likeness Score: 2.03 |
References
| 1. Wang J, Ma C, Balannik V, Pinto LH, Lamb RA, Degrado WF.. (2011) Exploring the Requirements for the Hydrophobic Scaffold and Polar Amine in inhibitors of M2 from Influenza A Virus., 2 (4): [PMID:21691418] [10.1021/ml100297w] |
Source
Source(1):