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Compound Detail

CHEMBL440932

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CSc1sc(C(=N)N)cc1-c1csc(Nc2cc(C)c(C)cc2C)n1

Basic Information

ChEMBL ID CHEMBL440932
Phase Preclinical
Structure Type MOL
InChI Key YCMAPLMAEQZHAF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.6
MW (Da)
5.55
ALogP
6
HBA
3
HBD
74.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4S3
MW 388.59
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.59

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.96 5.96 1100.0 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