| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041538
Max Phase: Preclinical
Molecular Formula: C11H16ClNO
Molecular Weight: 177.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.NC1C2C3CC4C2C(O)C2C1C3C42
Standard InChI: InChI=1S/C11H15NO.ClH/c12-10-6-2-1-3-5-4(2)8(10)9(5)11(13)7(3)6;/h2-11,13H,1,12H2;1H
Standard InChI Key: HEOYQMMKUQVLSL-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: 177.25 | Molecular Weight (Monoisotopic): 177.1154 | AlogP: 0.06 | #Rotatable Bonds: 0 |
| Polar Surface Area: 46.25 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.20 | CX LogP: -0.79 | CX LogD: -3.39 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.55 | Np Likeness Score: 1.17 |
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):