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Compound Detail

CHEMBL253608

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Cc1cc(C(=O)Nc2cc(Cl)cc(N3CCCCC3)c2)cc(C)c1OCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253608
Phase Preclinical
Structure Type MOL
InChI Key JDYIYIRPQKMWMM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

401.9
MW (Da)
4.54
ALogP
4
HBA
2
HBD
67.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H28ClN3O2
MW 401.94
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 IC50 6.28 6.28 520.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator IC50 = 520.0 nM 6.28 Inhibition of uPA 18163548

Literature References

PubMed DOI Target Context # Activities
18163548 10.1021/jm701359z Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine