| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3212596
Max Phase: Preclinical
Molecular Formula: C11H12F2N2O
Molecular Weight: 226.23
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1cccc(F)c1/C=N/N1CCOCC1
Standard InChI: InChI=1S/C11H12F2N2O/c12-10-2-1-3-11(13)9(10)8-14-15-4-6-16-7-5-15/h1-3,8H,4-7H2/b14-8+
Standard InChI Key: REFGTMVXLYFRSO-RIYZIHGNSA-N
Associated Targets(Human)
DNA polymerase beta 23632 Activities
DNA polymerase iota 116820 Activities
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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: 226.23 | Molecular Weight (Monoisotopic): 226.0918 | AlogP: 1.63 | #Rotatable Bonds: 2 |
| Polar Surface Area: 24.83 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.45 | CX LogP: 1.63 | CX LogD: 1.63 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.72 | Np Likeness Score: -1.68 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):