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Compound Detail

CHEMBL171642

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CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc(C)cc2Br)n1

Basic Information

ChEMBL ID CHEMBL171642
Phase Preclinical
Structure Type MOL
InChI Key BBZQWPQSGQXDJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
5.69
ALogP
6
HBA
3
HBD
74.8
PSA (Ų)
0.27
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 C16H15BrN4S3
MW 439.43
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.74

Activity Summary

Ki 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.37 6.37 430.0 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