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Compound Detail

CHEMBL173981

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CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1

Basic Information

ChEMBL ID CHEMBL173981
Phase Preclinical
Structure Type MOL
InChI Key YVGNPRHFBJDOHH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.1
MW (Da)
7.07
ALogP
7
HBA
3
HBD
84.0
PSA (Ų)
0.15
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17ClN4OS3
MW 473.05
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.43

Activity Summary

Ki 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.96 6.96 110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11294390 10.1016/s0960-894x(01)00102-0 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine