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Compound Detail

CHEMBL570081

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N=C(N)c1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1

Basic Information

ChEMBL ID CHEMBL570081
Phase Preclinical
Structure Type MOL
InChI Key SUBZXLQGZLOALR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.10
ALogP
4
HBA
3
HBD
97.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15N3O3
MW 333.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.75

Activity Summary

Ki 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.6 6.6 251.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 251.19 nM 6.6 Inhibition of urokinase 19385614

Literature References

PubMed DOI Target Context # Activities
19385614 10.1021/jm801444x Urokinase-type plasminogen activator 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine