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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2134202
CHEMBL2134202
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C19H21F3N6

Additional synonyms for CHEMBL2134202 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1cncnc1N2CCN(Cc3nc4cc(ccc4[nH]3)C(F)(F)F)CC2
Standard InChI InChI=1S/C19H21F3N6/c1-2-13-10-23-12-24-18(13)28-7-5-27(6-8- ...
Download InChI
Standard InChI Key FBLPQCAQRNSVHB-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Sanger Institute Genomics of Drug Sensitivity in Cancer

Alternate Forms of Compound in ChEMBL


CHEMBL2134202

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
390.4 390.178 3.26 4 60.94 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 6 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.42 7.7 2.15 1.65 3 28 0.74

Structural Alerts

There are no structural alerts for CHEMBL2134202

Compound Cross References

ChemSpider ChemSpider:FBLPQCAQRNSVHB-UHFFFAOYSA-N
PubChem SID: 137275978

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2134202



eMolecules 32175039
EPA CompTox Dashboard DTXSID10680074
Guide to Pharmacology 8036
MolPort MolPort-039-137-956 MolPort-023-277-042
Nikkaji J2.886.871E
PDBe 5FI
PubChem 51371303
Selleck pf-4708671
SureChEMBL SCHEMBL17714406
ZINC ZINC000071773472

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