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ID: ALA3947726
Max Phase: Preclinical
Molecular Formula: C17H17ClN2OS
Molecular Weight: 332.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc2c1N(C(=O)CSc1ccc(Cl)cn1)CCC2
Standard InChI: InChI=1S/C17H17ClN2OS/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-22-15-8-7-14(18)10-19-15/h2,4-5,7-8,10H,3,6,9,11H2,1H3
Standard InChI Key: AADFPUIVOUZLOS-UHFFFAOYSA-N
Associated Targets(Human)
Transient receptor potential cation channel subfamily V member 3 542 Activities
Sodium channel protein type II alpha subunit 504 Activities
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HERG 29587 Activities
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 332.86 | Molecular Weight (Monoisotopic): 332.0750 | AlogP: 4.11 | #Rotatable Bonds: 3 |
| Polar Surface Area: 33.20 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.42 | CX LogP: 4.05 | CX LogD: 4.05 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.79 | Np Likeness Score: -2.10 |
References
| 1. (2015) Compounds of modulating TRPV3 function, |
Source
Source(1):