ID: ALA3828292
Chembl Id: CHEMBL3828292
PubChem CID: 127043811
Max Phase: Preclinical
Molecular Formula: C12H7N5O
Molecular Weight: 237.22
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: c1ccc2oc(-c3ccnc4nnnn34)cc2c1
Standard InChI: InChI=1S/C12H7N5O/c1-2-4-10-8(3-1)7-11(18-10)9-5-6-13-12-14-15-16-17(9)12/h1-7H
Standard InChI Key: XTZALLKANSEPMC-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: 237.22 | Molecular Weight (Monoisotopic): 237.0651 | AlogP: 1.93 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.11 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.50 | CX LogD: 1.50 |
| Aromatic Rings: 4 | Heavy Atoms: 18 | QED Weighted: 0.51 | Np Likeness Score: -1.47 |
| 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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