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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2251718
CHEMBL2251718
Compound Name IMAZAPIC
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C14H17N3O3

Additional synonyms for CHEMBL2251718 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)C1(C)NC(=NC1=O)c2ncc(C)cc2C(=O)O
Standard InChI InChI=1S/C14H17N3O3/c1-7(2)14(4)13(20)16-11(17-14)10-9(12(18 ...
Download InChI
Standard InChI Key PVSGXWMWNRGTKE-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2251718

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
275.3 275.127 1.38 3 91.65 ACID


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
2.3 5.15 1.98 -1.15 1 20 0.87

Structural Alerts

There are no structural alerts for CHEMBL2251718

Compound Cross References

HRAC B - INHIBITION OF ACETOLACTATE SYNTHASE ALS (ACETOHYDROXYACID SYNTHASE AHAS)
B2 - IMIDAZOLINONE
B21 - IMAZAPIC
ChemSpider ChemSpider:PVSGXWMWNRGTKE-UHFFFAOYSA-N
PubChem SID: 144211218 SID: 50113116

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2251718



ACToR 104098-48-8 81334-60-3
Brenda 7318
ChemicalBook CB6354097
eMolecules 10521003
EPA CompTox Dashboard DTXSID5034270
IBM Patent System 2FC5A241A1D790C64B3B6C3FB1D0E311 6926CDAE5A481B507B328E6422836620
MolPort MolPort-019-989-887
Nikkaji J754.490A
PubChem 91770
PubChem: Thomson Pharma 56440235
SureChEMBL SCHEMBL19154

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