Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL2408030

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCCCCCCCCCc1nc(N(C)C)nc(OC)c1O

Basic Information

ChEMBL ID CHEMBL2408030
Phase Preclinical
Structure Type MOL
InChI Key GZAOYUFRXWHREA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.94
ALogP
5
HBA
1
HBD
58.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H31N3O2
MW 309.45
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.20

Activity Summary

EC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.17 7.17 68.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 68.0 nM 7.17 Cytoprotective activity against BSO-induced cell death in human Friedreich's ata... 24900738

Literature References

PubMed DOI Target Context # Activities
24900738 10.1021/ml400130z Unchecked 9
24900738 10.1021/ml400130z NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine