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Compound Detail

CHEMBL555026

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COC(=O)Nc1cccc2ccc(C(=N)N)cc12

Basic Information

ChEMBL ID CHEMBL555026
Phase Preclinical
Structure Type MOL
InChI Key QRWVPIXNCDJOGY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
2.30
ALogP
3
HBA
3
HBD
88.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O2
MW 243.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.80

Activity Summary

Ki 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 7.4 7.4 39.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 39.81 nM 7.4 Inhibition of urokinase 19385614

Literature References

PubMed DOI Target Context # Activities
19385614 10.1021/jm801444x Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine