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Compound Detail

CHEMBL1807762

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CCOC(=O)/C=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807762
Phase Preclinical
Structure Type MOL
InChI Key NZASBTAKGQGLLK-ZHACJKMWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.44
ALogP
5
HBA
1
HBD
81.3
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 C19H22N2O4
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.51

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