Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL560493

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NCc1ccc(NC(=O)c2cc(Nc3ncccn3)c3cc(/C(N)=N/O)ccc3c2)cc1

Basic Information

ChEMBL ID CHEMBL560493
Phase Preclinical
Structure Type MOL
InChI Key ICQMZIWOQSJVFD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
3.18
ALogP
7
HBA
5
HBD
151.5
PSA (Ų)
0.14
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O2
MW 427.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 7.3 7.3 50.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 50.12 nM 7.3 Inhibition of urokinase 19385614

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 2
19385614 10.1021/jm801444x Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine