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Compound Detail

CHEMBL321666

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N=C(N)c1ccc2cc(C(=O)Cc3ccccc3)ccc2c1

Basic Information

ChEMBL ID CHEMBL321666
Phase Preclinical
Structure Type MOL
InChI Key LERATEZTUJDUEE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.55
ALogP
2
HBA
2
HBD
66.9
PSA (Ų)
0.44
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 C19H16N2O
MW 288.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.19

Activity Summary

Ki 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.1 5.1 7980.0 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