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ID: ALA1987538
Max Phase: Preclinical
Molecular Formula: C7H5BrN4
Molecular Weight: 225.05
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1nnc2cc(Br)ccc2n1
Standard InChI: InChI=1S/C7H5BrN4/c8-4-1-2-5-6(3-4)11-12-7(9)10-5/h1-3H,(H2,9,10,12)
Standard InChI Key: BIGHEZITGZIITP-UHFFFAOYSA-N
Associated Targets(Human)
Polyadenylate-binding protein 1 2615 Activities
Glucagon-like peptide 1 receptor 111429 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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Tyrosyl-DNA phosphodiesterase 1 345557 Activities
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TAR DNA-binding protein 43 40113 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: 225.05 | Molecular Weight (Monoisotopic): 223.9698 | AlogP: 1.37 | #Rotatable Bonds: 0 |
| Polar Surface Area: 64.69 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.33 | CX LogP: 1.45 | CX LogD: 1.45 |
| Aromatic Rings: 2 | Heavy Atoms: 12 | QED Weighted: 0.73 | Np Likeness Score: -1.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):