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Compound Detail

CHEMBL352875

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COc1cc(Nc2nc(-c3cc(C(=N)N)sc3C)cs2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL352875
Phase Preclinical
Structure Type MOL
InChI Key RMXKAJHQDHWTJX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
4.23
ALogP
8
HBA
3
HBD
102.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O3S2
MW 404.52
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.18

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 1110.0 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