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Compound Detail

CHEMBL388774

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CCOCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C

Basic Information

ChEMBL ID CHEMBL388774
Phase Preclinical
Structure Type MOL
InChI Key DPZDZZVWSUMYBQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.88
ALogP
6
HBA
1
HBD
63.9
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 C17H22N2O4
MW 318.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.33

Activity Summary

IC50 3 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613652
IC50 5.96 5.81 1100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17500510 10.1021/jm0611511 Plasma 3

Data from ChEMBL 36 via Core Engine