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

CHEMBL4215225

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
N=C(N)NC(=O)c1nc(-c2cncc3ccccc23)c(N2CCCCCC2)nc1N

Basic Information

ChEMBL ID CHEMBL4215225
Phase Preclinical
Structure Type MOL
InChI Key FFBCSJBYNWOYNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
2.28
ALogP
7
HBA
4
HBD
146.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N8O
MW 404.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.59

Activity Summary

Ki 1 meas. best 5.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.45 5.45 3539.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30130401 10.1021/acs.jmedchem.8b00838 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine