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ID: ALA1999373
Max Phase: Preclinical
Molecular Formula: C10H7BrClN3O
Molecular Weight: 300.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc[nH]n1)c1ccc(Br)cc1Cl
Standard InChI: InChI=1S/C10H7BrClN3O/c11-6-1-2-7(8(12)5-6)10(16)14-9-3-4-13-15-9/h1-5H,(H2,13,14,15,16)
Standard InChI Key: GFJJNWBLHZFTET-UHFFFAOYSA-N
Associated Targets(non-human)
Mitochondrial import inner membrane translocase subunit TIM23 781 Activities
Mitochondrial import inner membrane translocase subunit TIM10 1435 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: 300.54 | Molecular Weight (Monoisotopic): 298.9461 | AlogP: 3.08 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.78 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.39 | CX Basic pKa: 1.64 | CX LogP: 3.34 | CX LogD: 3.34 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.90 | Np Likeness Score: -2.45 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):