| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524106
Max Phase: Preclinical
Molecular Formula: C15H21NO
Molecular Weight: 231.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc([C@@H](O)[C@@H]2CC3CCN2CC3)cc1
Standard InChI: InChI=1S/C15H21NO/c1-11-2-4-13(5-3-11)15(17)14-10-12-6-8-16(14)9-7-12/h2-5,12,14-15,17H,6-10H2,1H3/t14-,15+/m0/s1
Standard InChI Key: NNZNRCHTIVGVFE-LSDHHAIUSA-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: 231.34 | Molecular Weight (Monoisotopic): 231.1623 | AlogP: 2.51 | #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: 13.90 | CX Basic pKa: 9.01 | CX LogP: 2.52 | CX LogD: 0.91 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.85 | Np Likeness Score: 0.31 |
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):