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Compound Detail

CHEMBL1807757

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COC(=O)c1cccc(Oc2nc[nH]c(=O)c2/C=C/C(C)=O)c1

Basic Information

ChEMBL ID CHEMBL1807757
Phase Preclinical
Structure Type MOL
InChI Key OHJCNWPGNDINQX-VOTSOKGWSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
1.95
ALogP
6
HBA
1
HBD
98.3
PSA (Ų)
0.67
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 C16H14N2O5
MW 314.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.25

Activity Summary

IC50 2 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ALK tyrosine kinase receptor
CHEMBL4247
IC50 5.52 5.52 3030.0 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.4 5.4 4010.0 1

Activity Data Samples

Top measurements by pChEMBL value

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