| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524104
Max Phase: Preclinical
Molecular Formula: C13H18N2O
Molecular Weight: 218.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O[C@H](c1ccncc1)[C@@H]1CC2CCN1CC2
Standard InChI: InChI=1S/C13H18N2O/c16-13(11-1-5-14-6-2-11)12-9-10-3-7-15(12)8-4-10/h1-2,5-6,10,12-13,16H,3-4,7-9H2/t12-,13+/m0/s1
Standard InChI Key: AFXCHJUBHGTMHM-QWHCGFSZSA-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: 218.30 | Molecular Weight (Monoisotopic): 218.1419 | AlogP: 1.60 | #Rotatable Bonds: 2 |
| Polar Surface Area: 36.36 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.72 | CX Basic pKa: 8.50 | CX LogP: 0.79 | CX LogD: -0.34 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.82 | Np Likeness Score: 0.35 |
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):