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5-benzyl-1-((5-methyl-1H-pyrazol-3-yl)methyl)-1H-tetrazole ID: ALA5203358
Chembl Id: CHEMBL5203358
PubChem CID: 168293305
Max Phase: Preclinical
Molecular Formula: C13H14N6
Molecular Weight: 254.30
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(Cn2nnnc2Cc2ccccc2)n[nH]1
Standard InChI: InChI=1S/C13H14N6/c1-10-7-12(15-14-10)9-19-13(16-17-18-19)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H,14,15)
Standard InChI Key: QRUGTZWHEPKTHP-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: 254.30Molecular Weight (Monoisotopic): 254.1280AlogP: 1.34#Rotatable Bonds: 4Polar Surface Area: 72.28Molecular Species: NEUTRALHBA: 5HBD: 1#RO5 Violations: ┄HBA (Lipinski): 6HBD (Lipinski): 1#RO5 Violations (Lipinski): ┄CX Acidic pKa: ┄CX Basic pKa: 3.14CX LogP: 1.62CX LogD: 1.62Aromatic Rings: 3Heavy Atoms: 19QED Weighted: 0.76Np Likeness Score: -2.38
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 ]