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Compound Detail

CHEMBL3403525

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COC(=O)c1ccc2cc(OC(=O)c3ccc(NC(=N)N)cc3)ccc2c1

Basic Information

ChEMBL ID CHEMBL3403525
Phase Preclinical
Structure Type MOL
InChI Key DVNNDDZBSYOOIJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.15
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3O4
MW 363.37
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 6.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor activator
CHEMBL3351190
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25882520 10.1016/j.bmc.2015.03.072 Hepatocyte growth factor activator 1

Data from ChEMBL 36 via Core Engine