2-(1-((1-ethyl-5-methyl-1H-pyrazol-3-yl)methyl)-1H-tetrazol-5-yl)pyridine

ID: ALA5187746

Chembl Id: CHEMBL5187746

PubChem CID: 168283143

Max Phase: Preclinical

Molecular Formula: C13H15N7

Molecular Weight: 269.31

Associated Items:

Names and Identifiers

Canonical SMILES:  CCn1nc(Cn2nnnc2-c2ccccn2)cc1C

Standard InChI:  InChI=1S/C13H15N7/c1-3-19-10(2)8-11(16-19)9-20-13(15-17-18-20)12-6-4-5-7-14-12/h4-8H,3,9H2,1-2H3

Standard InChI Key:  BUFUIFIHVRNDHU-UHFFFAOYSA-N

Alternative Forms

  1. Parent:

    ALA5187746

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Associated Targets(Human)

HBA1 Tclin Hemoglobin HbA (880 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Topical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 269.31Molecular Weight (Monoisotopic): 269.1389AlogP: 1.31#Rotatable Bonds: 4
Polar Surface Area: 74.31Molecular Species: NEUTRALHBA: 7HBD:
#RO5 Violations: HBA (Lipinski): 7HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: 2.63CX LogP: 1.34CX LogD: 1.34
Aromatic Rings: 3Heavy Atoms: 20QED Weighted: 0.71Np Likeness Score: -2.52

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]

Source