| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3827315
Max Phase: Preclinical
Molecular Formula: C10H6N6O2
Molecular Weight: 242.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1ccc(-c2ccnc3nnnn23)cc1
Standard InChI: InChI=1S/C10H6N6O2/c17-16(18)8-3-1-7(2-4-8)9-5-6-11-10-12-13-14-15(9)10/h1-6H
Standard InChI Key: BOPXZDUMAQIQNL-UHFFFAOYSA-N
Associated Targets(Human)
Pancreatic alpha-amylase 74 Activities
Associated Targets(non-human)
Alpha-glucosidase MAL12 70 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 242.20 | Molecular Weight (Monoisotopic): 242.0552 | AlogP: 1.09 | #Rotatable Bonds: 2 |
| Polar Surface Area: 99.11 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.36 | CX LogD: 1.36 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.49 | Np Likeness Score: -2.27 |
References
| 1. Suresh L, Onkara P, Kumar PS, Pydisetty Y, Chandramouli GV.. (2016) Ionic liquid-promoted multicomponent synthesis of fused tetrazolo[1,5-a]pyrimidines as α-glucosidase inhibitors., 26 (16): [PMID:27406797] [10.1016/j.bmcl.2016.06.086] |
Source
Source(1):