ID: ALA5171323
Chembl Id: CHEMBL5171323
PubChem CID: 168268910
Max Phase: Preclinical
Molecular Formula: C11H11N7
Molecular Weight: 241.26
Associated Items:
Canonical SMILES: Cc1cc(Cn2nnc(-c3ccccn3)n2)n[nH]1
Standard InChI: InChI=1S/C11H11N7/c1-8-6-9(14-13-8)7-18-16-11(15-17-18)10-4-2-3-5-12-10/h2-6H,7H2,1H3,(H,13,14)
Standard InChI Key: KMTQNYIPBOHUPJ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 241.26 | Molecular Weight (Monoisotopic): 241.1076 | AlogP: 0.81 | #Rotatable Bonds: 3 |
| Polar Surface Area: 85.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 2.94 | CX LogP: 1.69 | CX LogD: 1.69 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.73 | Np Likeness Score: -2.78 |
| 1. Oulous A, Daoudi NE, Harit T, Cherfi M, Bnouham M, Malek F.. (2022) New pyrazole-tetrazole hybrid compounds as potent α-amylase and non-enzymatic glycation inhibitors., 69 [PMID:35569687] [10.1016/j.bmcl.2022.128785] |
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