| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392581
Max Phase: Preclinical
Molecular Formula: C15H14ClN7O3S
Molecular Weight: 407.84
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(Cl)c1S(=O)(=O)N(Cc1ccco1)c1ncnc2[nH]cnc12
Standard InChI: InChI=1S/C15H14ClN7O3S/c1-9-12(13(16)22(2)21-9)27(24,25)23(6-10-4-3-5-26-10)15-11-14(18-7-17-11)19-8-20-15/h3-5,7-8H,6H2,1-2H3,(H,17,18,19,20)
Standard InChI Key: UXCNCOQQSLYFAJ-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: 407.84 | Molecular Weight (Monoisotopic): 407.0567 | AlogP: 2.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 122.80 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.63 | CX Basic pKa: 1.37 | CX LogP: 0.67 | CX LogD: 0.67 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.54 | Np Likeness Score: -1.93 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):