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Compound Detail

CHEMBL4457757

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CCC(C)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12

Basic Information

ChEMBL ID CHEMBL4457757
Phase Preclinical
Structure Type MOL
InChI Key YGPBFOIHDMNOGN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
1.72
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.84
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 C16H22N4O2
MW 302.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.37

Activity Summary

IC50 2 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tissue-type plasminogen activator
CHEMBL1873
IC50 8.1 8.1 8.0 1
Plasma
CHEMBL613424
IC50 8.1 8.1 8.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine