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Compound Detail

CHEMBL232824

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COc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL232824
Phase Preclinical
Structure Type MOL
InChI Key BNSPARFXXMWQKK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
4.45
ALogP
5
HBA
0
HBD
34.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N4O
MW 374.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17350255 10.1016/j.bmcl.2007.02.056 Unchecked 1
17350255 10.1016/j.bmcl.2007.02.056 Escherichia coli 1

Data from ChEMBL 36 via Core Engine