ID: ALA3827382
Chembl Id: CHEMBL3827382
PubChem CID: 127044167
Max Phase: Preclinical
Molecular Formula: C8H5N5S
Molecular Weight: 203.23
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: c1csc(-c2ccnc3nnnn23)c1
Standard InChI: InChI=1S/C8H5N5S/c1-2-7(14-5-1)6-3-4-9-8-10-11-12-13(6)8/h1-5H
Standard InChI Key: ZHULYTZTHZIVDH-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 203.23 | Molecular Weight (Monoisotopic): 203.0266 | AlogP: 1.25 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.97 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.20 | CX LogD: 1.20 |
| Aromatic Rings: 3 | Heavy Atoms: 14 | QED Weighted: 0.60 | Np Likeness Score: -2.96 |
| 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] |
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