ID: ALA3828529
Chembl Id: CHEMBL3828529
PubChem CID: 137195718
Max Phase: Preclinical
Molecular Formula: C10H7N5O
Molecular Weight: 213.20
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Oc1ccccc1-c1ccnc2nnnn12
Standard InChI: InChI=1S/C10H7N5O/c16-9-4-2-1-3-7(9)8-5-6-11-10-12-13-14-15(8)10/h1-6,16H
Standard InChI Key: KLLCXQVVRYDEON-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 |
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| Molecular Weight: 213.20 | Molecular Weight (Monoisotopic): 213.0651 | AlogP: 0.89 | #Rotatable Bonds: 1 |
| Polar Surface Area: 76.20 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.26 | CX Basic pKa: | CX LogP: 1.11 | CX LogD: 1.11 |
| Aromatic Rings: 3 | Heavy Atoms: 16 | QED Weighted: 0.65 | Np Likeness Score: -1.46 |
| 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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