| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5194703
Max Phase: Preclinical
Molecular Formula: C18H15Cl2FN2O2
Molecular Weight: 381.23
Associated Items:
Representations
Canonical SMILES: O=C1C[C@H](C(=O)NC(c2ccc(Cl)cc2)c2ccc(F)c(Cl)c2)CN1
Standard InChI: InChI=1S/C18H15Cl2FN2O2/c19-13-4-1-10(2-5-13)17(11-3-6-15(21)14(20)7-11)23-18(25)12-8-16(24)22-9-12/h1-7,12,17H,8-9H2,(H,22,24)(H,23,25)/t12-,17?/m0/s1
Standard InChI Key: IFSUMAIZBYPPJM-WHUIICBVSA-N
Associated Targets(Human)
Sodium channel protein type VIII alpha subunit 249 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 381.23 | Molecular Weight (Monoisotopic): 380.0495 | AlogP: 3.47 | #Rotatable Bonds: 4 |
| Polar Surface Area: 58.20 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.82 | CX Basic pKa: | CX LogP: 3.08 | CX LogD: 3.08 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.85 | Np Likeness Score: -1.46 |
References
| 1. Sabnis RW.. (2022) 5-Oxopyrrolidine-3-carboxamides as Nav1.8 Inhibitors for Treating Pain Disorders, Cough Disorders, and Acute and Chronic Itch Disorders., 13 (5.0): [PMID:35586433] [10.1021/acsmedchemlett.2c00144] |
Source
Source(1):