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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1237018
CHEMBL1237018
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C21H21ClFN5O4

Additional synonyms for CHEMBL1237018 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN1C[C@H](C)n2c(C1=O)c(O)c3C(=O)N(Cc4ccc(F)c(Cl)c4)N=C(C(=O ...
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Standard InChI InChI=1S/C21H21ClFN5O4/c1-4-26-8-10(2)28-16-14(18(29)17(28)2 ...
Download InChI
Standard InChI Key JSRREMIKIHJGAA-JTQLQIEISA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1237018

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
461.9 461.1266 2.14 4 109.46 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 9 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.3 - 5.14 3.61 3 32 0.62

Structural Alerts

There are 1 structural alerts for CHEMBL1237018. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:JSRREMIKIHJGAA-JTQLQIEISA-N
Wikipedia MK-2048

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1237018



EPA CompTox Dashboard DTXSID70236031
FDA SRS LJ8U884TM5
IBM Patent System AEBB2FA1C3B082BB2EDCAF0A8223D420
MolPort MolPort-023-219-165
PDBe ZZX
PubChem 54698642
PubChem: Thomson Pharma 16656657
Selleck mk-2048
SureChEMBL SCHEMBL3984882
ZINC ZINC000035801891

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