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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1513993
CHEMBL1513993
Compound Name
ChEMBL Synonyms BAY-736691 | SID29217503 | BAY-73-6691
Max Phase 0
Trade Names
Molecular Formula C15H12ClF3N4O

Additional synonyms for CHEMBL1513993 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CC1=Nc2c(cnn2c3ccccc3Cl)C(=O)N1)C(F)(F)F
Standard InChI InChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)2 ...
Download InChI
Standard InChI Key FFPXPXOAFQCNBS-MRVPVSSYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL1513993

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
356.7 356.0652 3.58 0 4 No Yes NEUTRAL


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
7.95 - 2.98 2.88 2 24 0 0.91

Compound Cross References

ChemSpider ChemSpider:FFPXPXOAFQCNBS-MRVPVSSYSA-N
PubChem SID: 29217503
Wikipedia BAY_73-6691

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1513993



PDBe PDB
ZINC ZINC13829341
eMolecules 26754726
SureChem SureCN534220
PubChem: Thomson Pharma 99289644

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