| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3210278
Max Phase: Preclinical
Molecular Formula: C13H13Cl2N3O2S
Molecular Weight: 346.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/N=C1\SC(CC(=O)Nc2cccc(Cl)c2Cl)C(=O)N1C
Standard InChI: InChI=1S/C13H13Cl2N3O2S/c1-16-13-18(2)12(20)9(21-13)6-10(19)17-8-5-3-4-7(14)11(8)15/h3-5,9H,6H2,1-2H3,(H,17,19)/b16-13-
Standard InChI Key: LSVNCGUAGDAWBD-SSZFMOIBSA-N
Associated Targets(Human)
DNA polymerase eta 21678 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: 346.24 | Molecular Weight (Monoisotopic): 345.0106 | AlogP: 2.88 | #Rotatable Bonds: 3 |
| Polar Surface Area: 61.77 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.52 | CX Basic pKa: 1.29 | CX LogP: 2.75 | CX LogD: 2.75 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.92 | Np Likeness Score: -1.89 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):