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Compound Detail

CHEMBL3786658

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COc1ccc2c(OCCn3c(=O)oc4ccc(-c5cnn(C)c5)cc43)ccnc2c1

Basic Information

ChEMBL ID CHEMBL3786658
Phase Preclinical
Structure Type MOL
InChI Key WUDLBRVXLBTUDF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
3.63
ALogP
8
HBA
0
HBD
84.3
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O4
MW 416.44
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.72 7.72 18.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27017548 10.1016/j.ejmech.2016.03.027 NON-PROTEIN TARGET 1
27017548 10.1016/j.ejmech.2016.03.027 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine