ID: ALA5199982
Chembl Id: CHEMBL5199982
PubChem CID: 168290517
Max Phase: Preclinical
Molecular Formula: C13H14N6
Molecular Weight: 254.30
Associated Items:
Canonical SMILES: Cc1cc(Cn2nnc(Cc3ccccc3)n2)n[nH]1
Standard InChI: InChI=1S/C13H14N6/c1-10-7-12(15-14-10)9-19-17-13(16-18-19)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,15)
Standard InChI Key: WKNDFYZNPNNGPT-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: 254.30 | Molecular Weight (Monoisotopic): 254.1280 | AlogP: 1.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.28 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 2.95 | CX LogP: 2.50 | CX LogD: 2.50 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.76 | Np Likeness Score: -2.02 |
| 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] |
Source(1):
