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Compound Detail

CHEMBL1807768

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CCOC(=O)/C=C/c1c(Oc2ccc(OC)cc2C(=O)OC)nc[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807768
Phase Preclinical
Structure Type MOL
InChI Key PKVWPXXBPCAJGP-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
1.93
ALogP
8
HBA
1
HBD
116.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O7
MW 374.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.31

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