| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041549
Max Phase: Preclinical
Molecular Formula: C8H14ClN
Molecular Weight: 123.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C1CC2CC1C1CNC21.Cl
Standard InChI: InChI=1S/C8H13N.ClH/c1-2-6-3-5(1)7-4-9-8(6)7;/h5-9H,1-4H2;1H
Standard InChI Key: AKNNOCZQLOWNTN-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: 123.20 | Molecular Weight (Monoisotopic): 123.1048 | AlogP: 1.00 | #Rotatable Bonds: 0 |
| Polar Surface Area: 12.03 | Molecular Species: BASE | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.83 | CX LogP: 0.84 | CX LogD: -2.19 |
| Aromatic Rings: 0 | Heavy Atoms: 9 | QED Weighted: 0.51 | Np Likeness Score: 1.93 |
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):