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ID: ALA1606000
Max Phase: Preclinical
Molecular Formula: C14H19NO2S
Molecular Weight: 265.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)N2CC3CCCC2C3)cc1
Standard InChI: InChI=1S/C14H19NO2S/c1-11-5-7-14(8-6-11)18(16,17)15-10-12-3-2-4-13(15)9-12/h5-8,12-13H,2-4,9-10H2,1H3
Standard InChI Key: JLWCRSGTBCGNOC-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 265.38 | Molecular Weight (Monoisotopic): 265.1136 | AlogP: 2.56 | #Rotatable Bonds: 2 |
| Polar Surface Area: 37.38 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.79 | CX LogD: 2.79 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.82 | Np Likeness Score: -1.20 |
References
| 1. PubChem BioAssay data set, |
