Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5267364
Max Phase: Preclinical
Molecular Formula: C19H14N2
Molecular Weight: 270.33
Associated Items:
ID: ALA5267364
Max Phase: Preclinical
Molecular Formula: C19H14N2
Molecular Weight: 270.33
Associated Items:
Canonical SMILES: c1ccc(-c2nc(-c3cccc4ccccc34)c[nH]2)cc1
Standard InChI: InChI=1S/C19H14N2/c1-2-8-15(9-3-1)19-20-13-18(21-19)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
Standard InChI Key: JQJKWVIUFZWDPH-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 270.33 | Molecular Weight (Monoisotopic): 270.1157 | AlogP: 4.90 | #Rotatable Bonds: 2 |
Polar Surface Area: 28.68 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
#RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 12.86 | CX Basic pKa: 5.26 | CX LogP: 4.90 | CX LogD: 4.90 |
Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.55 | Np Likeness Score: -0.55 |
1. Beltran-Hortelano I, Alcolea V, Font M, Pérez-Silanes S.. (2020) The role of imidazole and benzimidazole heterocycles in Chagas disease: A review., 206 [PMID:32818869] [10.1016/j.ejmech.2020.112692] |
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