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Compound Detail

CHEMBL3785213

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COc1ccc2c(OCCn3c(=O)oc4cc(N)ccc43)ccnc2c1

Basic Information

ChEMBL ID CHEMBL3785213
Phase Preclinical
Structure Type MOL
InChI Key DPJVLCNBELPWBX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.81
ALogP
7
HBA
1
HBD
92.5
PSA (Ų)
0.56
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 C19H17N3O4
MW 351.36
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.11

Activity Summary

IC50 2 meas. best 8.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.01 8.01 9.8 1
NON-PROTEIN TARGET
CHEMBL3879801
IC50 6.8 6.8 160.0 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