| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3245613
Max Phase: Preclinical
Molecular Formula: C12H10N4O
Molecular Weight: 226.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(-n2nnc3cccnc32)cc1
Standard InChI: InChI=1S/C12H10N4O/c1-17-10-6-4-9(5-7-10)16-12-11(14-15-16)3-2-8-13-12/h2-8H,1H3
Standard InChI Key: OSSQPGHVPKERRV-UHFFFAOYSA-N
Associated Targets(non-human)
Rattus norvegicus 775804 Activities
Escherichia coli 133304 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Bacillus subtilis 32866 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Fusarium oxysporum 3998 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Fusarium 166 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 226.24 | Molecular Weight (Monoisotopic): 226.0855 | AlogP: 1.82 | #Rotatable Bonds: 2 |
| Polar Surface Area: 52.83 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.08 | CX LogD: 2.08 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.67 | Np Likeness Score: -1.90 |
References
| 1. Clark RL, Pessolano AA, Shen TY, Jacobus DP, Jones H, Lotti VJ, Flataker LM.. (1978) Synthesis and analgesic activity of 1,3-dihydro-3-(substituted phenyl)imidazo[4,5-b]pyridin-2-ones and 3-(substituted phenyl)-1,2,3-triazolo[4,5-b]pyridines., 21 (9): [PMID:309950] [10.1021/jm00207a023] |
| 2. Marepu N, Yeturu S, Pal M.. (2018) 1,2,3-Triazole fused with pyridine/pyrimidine as new template for antimicrobial agents: Regioselective synthesis and identification of potent N-heteroarenes., 28 (20): [PMID:30243590] [10.1016/j.bmcl.2018.09.021] |
Source
Source(1):