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Compound Detail

CHEMBL322723

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CNC(=O)c1ccc2cc(C(=N)N)ccc2c1

Basic Information

ChEMBL ID CHEMBL322723
Phase Preclinical
Structure Type MOL
InChI Key PPKGLTULIPQHER-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
1.48
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O
MW 227.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.51

Activity Summary

Ki 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.06 5.06 8700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14711304 10.1021/jm0300072 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine