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Compound Detail

CHEMBL1808104

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COC(=O)c1cc(Cl)ccc1Oc1nc[nH]c(=O)c1/C=C/C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808104
Phase Preclinical
Structure Type MOL
InChI Key KSIFOSFTCXFSSU-HWKANZROSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.7
MW (Da)
2.60
ALogP
6
HBA
1
HBD
98.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN2O5
MW 348.74
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
21708465 10.1016/j.bmcl.2011.05.103 ALK tyrosine kinase receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Insulin receptor 1
21708465 10.1016/j.bmcl.2011.05.103 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine