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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL311350
CHEMBL311350
Compound Name PIROMIDIC ACID
ChEMBL Synonyms PD-93 | Piromidic acid
Max Phase 0
Trade Names
Molecular Formula C14H16N4O3

Additional synonyms for CHEMBL311350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCCC3
Standard InChI InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16 ...
Download InChI
Standard InChI Key RCIMBBZXSXFZBV-UHFFFAOYSA-N

Sources

  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL311350

Molecule Features

CHEMBL311350 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PIROMIDIC ACID
The Cochrane Collaboration PIROMIDIC ACID

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL311350. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3691 Autotaxin Homo sapiens 1.000
CHEMBL3468 Caspase-7 Homo sapiens 0.996
CHEMBL4261 Hypoxia-inducible factor 1 alpha Homo sapiens 0.964
CHEMBL4372 Anthrax lethal factor Bacillus anthracis 0.736
CHEMBL4159 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Homo sapiens 0.387
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.306
CHEMBL4801 Caspase-1 Homo sapiens 0.253

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
288.3 288.1222 1.11 3 88.32 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.27 6.54 -.19 -3.05 2 21 0.91

Structural Alerts

There are 2 structural alerts for CHEMBL311350. To view alerts please click here.

Compound Cross References

ATC J - ANTIINFECTIVES FOR SYSTEMIC USE
J01 - ANTIBACTERIALS FOR SYSTEMIC USE
J01M - QUINOLONE ANTIBACTERIALS
J01MB - Other quinolones
J01MB03 - piromidic acid

ChemSpider ChemSpider:RCIMBBZXSXFZBV-UHFFFAOYSA-N
PubChem SID: 11112653 SID: 144204138 SID: 170466042 SID: 26748599

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL311350



ACToR 19562-30-2
ChEBI 32019
DrugCentral 2209
eMolecules 1988556
EPA CompTox Dashboard DTXSID4045424
FDA SRS 3I12WH4EWF
IBM Patent System 05F222E1E9D4C4CA7F28E2081A40BB6B
LINCS LSM-5506
MolPort MolPort-003-666-407
Nikkaji J3.146A
PubChem 4855
PubChem: Thomson Pharma 14799983
SureChEMBL SCHEMBL134848
ZINC ZINC000000057461

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