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ID: ALA3189035
Max Phase: Preclinical
Molecular Formula: C9H3ClN4O4
Molecular Weight: 266.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1c(-c2ccc(Cl)c([N+](=O)[O-])c2)no[n+]1[O-]
Standard InChI: InChI=1S/C9H3ClN4O4/c10-6-2-1-5(3-7(6)13(15)16)9-8(4-11)14(17)18-12-9/h1-3H
Standard InChI Key: NOAVSLKNBVQFCA-UHFFFAOYSA-N
Associated Targets(Human)
Werner syndrome ATP-dependent helicase 8824 Activities
DNA polymerase eta 21678 Activities
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Bloom syndrome protein 4248 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: 266.60 | Molecular Weight (Monoisotopic): 265.9843 | AlogP: 1.41 | #Rotatable Bonds: 2 |
| Polar Surface Area: 119.90 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.89 | CX LogD: 0.89 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.46 | Np Likeness Score: -1.77 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):