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Compound Detail

CHEMBL173211

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

Basic Information

ChEMBL ID CHEMBL173211
Phase Preclinical
Structure Type MOL
InChI Key FJPXRXLMSZWSFX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.6
MW (Da)
4.69
ALogP
7
HBA
3
HBD
78.0
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5S3
MW 389.58
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.68

Activity Summary

Ki 1 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.51 6.51 310.0 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