| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4524105
Max Phase: Preclinical
Molecular Formula: C14H18ClNO
Molecular Weight: 251.76
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O[C@H](c1ccc(Cl)cc1)[C@@H]1CC2CCN1CC2
Standard InChI: InChI=1S/C14H18ClNO/c15-12-3-1-11(2-4-12)14(17)13-9-10-5-7-16(13)8-6-10/h1-4,10,13-14,17H,5-9H2/t13-,14+/m0/s1
Standard InChI Key: OXTQZTKEXBFDAA-UONOGXRCSA-N
Associated Targets(non-human)
Cavia porcellus 23802 Activities
Canis familiaris 36305 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 251.76 | Molecular Weight (Monoisotopic): 251.1077 | AlogP: 2.86 | #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: 13.83 | CX Basic pKa: 8.76 | CX LogP: 2.61 | CX LogD: 1.24 |
| Aromatic Rings: 1 | Heavy Atoms: 17 | QED Weighted: 0.87 | Np Likeness Score: 0.14 |
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):