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2-(1-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-tetrazol-5-yl)pyridine ID: ALA5188204
Chembl Id: CHEMBL5188204
PubChem CID: 168279964
Max Phase: Preclinical
Molecular Formula: C11H11N7
Molecular Weight: 241.26
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(Cn2nnnc2-c2ccccn2)n[nH]1
Standard InChI: InChI=1S/C11H11N7/c1-8-6-9(14-13-8)7-18-11(15-16-17-18)10-4-2-3-5-12-10/h2-6H,7H2,1H3,(H,13,14)
Standard InChI Key: LDHMVSFOUTTXPP-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: 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
Calculated Properties Molecular Weight: 241.26Molecular Weight (Monoisotopic): 241.1076AlogP: 0.81#Rotatable Bonds: 3Polar Surface Area: 85.17Molecular Species: NEUTRALHBA: 6HBD: 1#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.13CX LogP: 0.86CX LogD: 0.86Aromatic Rings: 3Heavy Atoms: 18QED Weighted: 0.73Np Likeness Score: -2.73
References 1. Oulous A, Daoudi NE, Harit T, Cherfi M, Bnouham M, Malek F.. (2022) New pyrazole-tetrazole hybrid compounds as potent α-amylase and non-enzymatic glycation inhibitors., 69 [PMID:35569687 ] [10.1016/j.bmcl.2022.128785 ]