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Compound Detail

CHEMBL3786753

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COC(=O)c1ccc2oc(=O)n(CCOc3ccnc4cc(OC)ccc34)c2c1

Basic Information

ChEMBL ID CHEMBL3786753
Phase Preclinical
Structure Type MOL
InChI Key AGJSYNQWPMYBLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
3.02
ALogP
8
HBA
0
HBD
92.8
PSA (Ų)
0.46
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 C21H18N2O6
MW 394.38
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 7.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.03 7.03 93.6 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