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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL60859
CHEMBL60859
Compound Name BMY-14802
ChEMBL Synonyms BMY-14802
Max Phase 0
Trade Names
Molecular Formula C18H22F2N4O

Additional synonyms for CHEMBL60859 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(CCCN1CCN(CC1)c2ncc(F)cn2)c3ccc(F)cc3
Standard InChI InChI=1S/C18H22F2N4O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-1 ...
Download InChI
Standard InChI Key ZXUYYZPJUGQHLQ-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL60859

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
348.4 348.1762 2.82 6 52.49 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.57 1.17 .98 2 25 0.87

Structural Alerts

There are no structural alerts for CHEMBL60859

Compound Cross References

ChemSpider ChemSpider:ZXUYYZPJUGQHLQ-UHFFFAOYSA-N
Wikipedia BMY-14802

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL60859



ACToR 105565-56-8
BindingDB 50002238
ChEBI 91549
Guide to Pharmacology 8
IBM Patent System F5EA66501EEAE12142C5D6F4B3BA8DB4
LINCS LSM-1339
Nikkaji J227.825A J292.933C J292.257F
PubChem 108046
PubChem: Thomson Pharma 14851854
SureChEMBL SCHEMBL467229

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