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Compound Detail

CHEMBL353478

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COc1cc(Nc2nc(-c3cc(C(=N)N)sc3SC)cs2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL353478
Phase Preclinical
Structure Type MOL
InChI Key VCMYKMXIDILKGK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.6
MW (Da)
4.65
ALogP
9
HBA
3
HBD
102.5
PSA (Ų)
0.27
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O3S3
MW 436.58
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.12

Activity Summary

Ki 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.8 6.8 160.0 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