| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2041546
Max Phase: Preclinical
Molecular Formula: C7H16ClN
Molecular Weight: 113.20
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 2,2,3,3-Tetramethylcyclopropanaminium Chloride
Synonyms from Alternative Forms(1):
Canonical SMILES: CC1(C)C(N)C1(C)C.Cl
Standard InChI: InChI=1S/C7H15N.ClH/c1-6(2)5(8)7(6,3)4;/h5H,8H2,1-4H3;1H
Standard InChI Key: MLHWZWPUKPVGAR-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: 113.20 | Molecular Weight (Monoisotopic): 113.1204 | AlogP: 1.38 | #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: 9.48 | CX LogP: 1.33 | CX LogD: -0.71 |
| Aromatic Rings: 0 | Heavy Atoms: 8 | QED Weighted: 0.50 | Np Likeness Score: 0.69 |
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):