| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041537
Max Phase: Preclinical
Molecular Formula: C11H16ClN
Molecular Weight: 161.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.NC1C2C3CC4C1C1C2CC3C41
Standard InChI: InChI=1S/C11H15N.ClH/c12-11-8-4-2-5-7-3(4)1-6(8)9(7)10(5)11;/h3-11H,1-2,12H2;1H
Standard InChI Key: SHFNPJGWZAJMEC-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: 161.25 | Molecular Weight (Monoisotopic): 161.1204 | AlogP: 1.09 | #Rotatable Bonds: 0 |
| Polar Surface Area: 26.02 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.51 | CX LogP: 0.44 | CX LogD: -2.33 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.57 | Np Likeness Score: 1.00 |
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):