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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL281948
CHEMBL281948
Compound Name K-252A
ChEMBL Synonyms K-252A
Max Phase 0
Trade Names
Molecular Formula C27H21N3O5

Additional synonyms for CHEMBL281948 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n3c4ccccc4c5c6CNC(=O)c6c7c8c ...
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Standard InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16 ...
Download InChI
Standard InChI Key KOZFSFOOLUUIGY-SOLYNIJKSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL281948

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
467.5 467.1481 3.66 1 94.72 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 0 8 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.95 - 5.51 5.51 5 35 0.37

Structural Alerts

There are 2 structural alerts for CHEMBL281948. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KOZFSFOOLUUIGY-SOLYNIJKSA-N
Wikipedia K252a

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL281948



Brenda 17792 10865
ChEBI 43616
DrugBank DB02152
eMolecules 476106 30488043 29547198
EPA CompTox Dashboard DTXSID40880065
FDA SRS IV7H45AM5B
IBM Patent System DDDC73EB4F865D34CE543F52811D949D
Metabolights MTBLC43616
MolPort MolPort-003-848-298
PDBe KSA
PubChem 3035817
PubChem: Drugs of the Future 136349961
PubChem: Thomson Pharma 14834153 14760712
SureChEMBL SCHEMBL968886
ZINC ZINC000003872984

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