| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392341
Max Phase: Preclinical
Molecular Formula: C17H14N2O3S
Molecular Weight: 326.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2O)cc1
Standard InChI: InChI=1S/C17H14N2O3S/c1-12-7-9-14(10-8-12)23(21,22)15-11-18-16(19-17(15)20)13-5-3-2-4-6-13/h2-11H,1H3,(H,18,19,20)
Standard InChI Key: AOOKFOWJLVWRFH-UHFFFAOYSA-N
Associated Targets(Human)
DNA polymerase iota 116820 Activities
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: 326.38 | Molecular Weight (Monoisotopic): 326.0725 | AlogP: 2.99 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.48 | CX Basic pKa: | CX LogP: 4.75 | CX LogD: 4.74 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.80 | Np Likeness Score: -1.58 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):