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Compound Detail

CHEMBL4592797

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O=C(NCc1ccco1)Nc1cccc2nn3c(C4CCNCC4)cc(=O)[nH]c3c12

Basic Information

ChEMBL ID CHEMBL4592797
Phase Preclinical
Structure Type MOL
InChI Key SKJLQKNJWSODRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
2.56
ALogP
6
HBA
4
HBD
116.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6O3
MW 406.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.42

Activity Summary

IC50 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613424
IC50 7.07 7.07 85.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 85.0 nM 7.07 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