| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041542
Max Phase: Preclinical
Molecular Formula: C10H18ClNO2
Molecular Weight: 183.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cl.NC12CC3CC(C1)CC(CO)(C3)O2
Standard InChI: InChI=1S/C10H17NO2.ClH/c11-10-4-7-1-8(5-10)3-9(2-7,6-12)13-10;/h7-8,12H,1-6,11H2;1H
Standard InChI Key: XXFVBESAKUTPPV-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: 183.25 | Molecular Weight (Monoisotopic): 183.1259 | AlogP: 0.61 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.48 | Molecular Species: BASE | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.90 | CX LogP: 0.09 | CX LogD: -1.41 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.63 | 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):