ID: ALA3827977
Chembl Id: CHEMBL3827977
PubChem CID: 127043655
Max Phase: Preclinical
Molecular Formula: C13H7N5O2
Molecular Weight: 265.23
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=c1oc2ccccc2cc1-c1ccnc2nnnn12
Standard InChI: InChI=1S/C13H7N5O2/c19-12-9(7-8-3-1-2-4-11(8)20-12)10-5-6-14-13-15-16-17-18(10)13/h1-7H
Standard InChI Key: NOTUEZRAYCAWPC-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: 265.23 | Molecular Weight (Monoisotopic): 265.0600 | AlogP: 1.29 | #Rotatable Bonds: 1 |
| Polar Surface Area: 86.18 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.25 | CX LogD: 1.25 |
| Aromatic Rings: 4 | Heavy Atoms: 20 | QED Weighted: 0.48 | Np Likeness Score: -1.41 |
| 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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