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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1621900
CHEMBL1621900
Compound Name IMAZAPYR
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C13H15N3O3

Additional synonyms for CHEMBL1621900 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1(C)N=C(NC1=O)c2ncccc2C(=O)O
Standard InChI InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17) ...
Download InChI
Standard InChI Key CLQMBPJKHLGMQK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1621900

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
261.3 261.1113 1.07 3 91.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.6 3.3 .28 -2.85 1 19 0.85

Structural Alerts

There are no structural alerts for CHEMBL1621900

Compound Cross References

HRAC B - INHIBITION OF ACETOLACTATE SYNTHASE ALS (ACETOHYDROXYACID SYNTHASE AHAS)
B2 - IMIDAZOLINONE
B24 - IMAZAPYR
ChemSpider ChemSpider:CLQMBPJKHLGMQK-UHFFFAOYSA-N
PubChem SID: 144211318

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1621900



ACToR 108224-78-8 81334-34-1
ChEBI 133187
ChemicalBook CB7121753
eMolecules 502854
EPA CompTox Dashboard DTXSID8034665
IBM Patent System FB32A81F9C3C0D14C079AB17189513D5 0ACAA6966B5C87FEFD2D1A635BB75C29
KEGG Ligand C18864
Mcule MCULE-3962728180
MolPort MolPort-000-851-418 MolPort-003-009-242
Nikkaji J43.085D
NMRShiftDB 20209517
PubChem 54738
PubChem: Thomson Pharma 14774688
SureChEMBL SCHEMBL18541

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CLQMBPJKHLGMQK-UHFFFAOYSA-N spacer
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