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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1277072
CHEMBL1277072
Compound Name HENATINIB
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C25H29FN4O4

Additional synonyms for CHEMBL1277072 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1c(\C=C\2/C(=O)Nc3ccc(F)cc23)[nH]c4CCCN(C[C@H](O)CN5CCOCC5 ...
Download SMILES
Standard InChI InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28 ...
Download InChI
Standard InChI Key MCTXSDCWFQAGFS-UEXNTNOUSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1277072

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
468.5 468.2173 1.94 5 97.9 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 8 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.72 6.52 -.14 -.18 2 34 0.58

Structural Alerts

There are 3 structural alerts for CHEMBL1277072. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MCTXSDCWFQAGFS-UEXNTNOUSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1277072



BindingDB 50331032
DrugBank DB13019
EPA CompTox Dashboard DTXSID30154146
FDA SRS TE20GB753F
PubChem 25116064
PubChem: Thomson Pharma 56440197
SureChEMBL SCHEMBL13415507

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