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Compound Detail

CHEMBL3403523

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N=C(N)Nc1ccc(C(=O)Oc2cccc([N+](=O)[O-])c2)cc1

Basic Information

ChEMBL ID CHEMBL3403523
Phase Preclinical
Structure Type MOL
InChI Key LIJHCOQWUYPXSK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
2.12
ALogP
5
HBA
3
HBD
131.3
PSA (Ų)
0.20
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 C14H12N4O4
MW 300.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor activator
CHEMBL3351190
IC50 5.52 5.52 3000.0 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