| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1563418
Max Phase: Preclinical
Molecular Formula: C20H24N2O4S
Molecular Weight: 388.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)cc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1
Standard InChI: InChI=1S/C20H24N2O4S/c1-16-12-17(2)14-18(13-16)22(15-20(23)21-8-10-26-11-9-21)27(24,25)19-6-4-3-5-7-19/h3-7,12-14H,8-11,15H2,1-2H3
Standard InChI Key: IDQQELXHNUVHFK-UHFFFAOYSA-N
Associated Targets(Human)
MCOLN3 protein 319 Activities
Associated Targets(non-human)
Ion channel NompC 277 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 388.49 | Molecular Weight (Monoisotopic): 388.1457 | AlogP: 2.36 | #Rotatable Bonds: 5 |
| Polar Surface Area: 66.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.83 | CX Basic pKa: | CX LogP: 2.61 | CX LogD: 2.61 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.79 | Np Likeness Score: -1.88 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):