| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3827998
Max Phase: Preclinical
Molecular Formula: C10H6ClN5
Molecular Weight: 231.65
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccc(-c2ccnc3nnnn23)cc1
Standard InChI: InChI=1S/C10H6ClN5/c11-8-3-1-7(2-4-8)9-5-6-12-10-13-14-15-16(9)10/h1-6H
Standard InChI Key: IEKPPNOJRJGDFW-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 |
|---|
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: 231.65 | Molecular Weight (Monoisotopic): 231.0312 | AlogP: 1.84 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.97 | 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: 2.02 | CX LogD: 2.02 |
| Aromatic Rings: 3 | Heavy Atoms: 16 | QED Weighted: 0.64 | Np Likeness Score: -2.26 |
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):