| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1900283
Max Phase: Preclinical
Molecular Formula: C16H18N2O4S2
Molecular Weight: 366.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
Standard InChI: InChI=1S/C16H18N2O4S2/c19-23(20,15-7-3-1-4-8-15)17-11-13-18(14-12-17)24(21,22)16-9-5-2-6-10-16/h1-10H,11-14H2
Standard InChI Key: JUQZKAOPUODWFG-UHFFFAOYSA-N
Associated Targets(Human)
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 36611 Activities
Associated Targets(non-human)
Giardia 1682 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 |
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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: 366.46 | Molecular Weight (Monoisotopic): 366.0708 | AlogP: 1.38 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.76 | Molecular Species: | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.71 | CX LogD: 1.71 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.82 | Np Likeness Score: -1.13 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):