| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524101
Max Phase: Preclinical
Molecular Formula: C14H19NO
Molecular Weight: 217.31
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O[C@H](c1ccccc1)[C@@H]1CC2CCN1CC2
Standard InChI: InChI=1S/C14H19NO/c16-14(12-4-2-1-3-5-12)13-10-11-6-8-15(13)9-7-11/h1-5,11,13-14,16H,6-10H2/t13-,14+/m0/s1
Standard InChI Key: PWPTXBISWPQFLV-UONOGXRCSA-N
Associated Targets(non-human)
Cavia porcellus 23802 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 217.31 | Molecular Weight (Monoisotopic): 217.1467 | AlogP: 2.20 | #Rotatable Bonds: 2 |
| Polar Surface Area: 23.47 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.87 | CX Basic pKa: 8.97 | CX LogP: 2.01 | CX LogD: 0.44 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.82 | Np Likeness Score: 0.48 |
References
| 1. Nelson PH, Strosberg AM, Untch KG.. (1980) Mono- and diaryl-2-quinuclidinylcarbinols with local anesthetic and antiarrhythmic activity., 23 (2): [PMID:7359531] [10.1021/jm00176a014] |
Source
Source(1):