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Compound Detail

CHEMBL4526972

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C#Cc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12

Basic Information

ChEMBL ID CHEMBL4526972
Phase Preclinical
Structure Type MOL
InChI Key SXLLSEZAJDPAAZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
1.62
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N4O
MW 292.34
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.83

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613424
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 10.0 nM 8.0 Anti-fibrinolytic activity in 5% human plasma in presence of fibrinogen by spect... 31658420

Literature References

PubMed DOI Target Context # Activities
31658420 10.1021/acs.jmedchem.9b01060 Plasma 1

Data from ChEMBL 36 via Core Engine