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

CHEMBL390310

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
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3CCCC3)cc12

Basic Information

ChEMBL ID CHEMBL390310
Phase Preclinical
Structure Type MOL
InChI Key QABOEPAYXSLSDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

367.9
MW (Da)
2.01
ALogP
4
HBA
3
HBD
123.5
PSA (Ų)
0.56
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 C15H18ClN5O2S
MW 367.86
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.29

Activity Summary

Ki 1 meas. best 7.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 7.15 7.15 71.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 71.0 nM 7.15 Inhibition of human uPA 17447747

Literature References

PubMed DOI Target Context # Activities
17447747 10.1021/jm061066t Tissue-type plasminogen activator 2
17447747 10.1021/jm061066t Urokinase-type plasminogen activator 1
17447747 10.1021/jm061066t Plasminogen 1

Data from ChEMBL 36 via Core Engine