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

CHEMBL142037

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
Cc1c(C)c2c(c(C)c1O)C(CN1CCN(C)CC1)C(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL142037
Phase Preclinical
Structure Type MOL
InChI Key PDDUBUNHOQKCOS-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
2.82
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H30N2O2
MW 318.46
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.74

Activity Summary

IC50 3 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 6.4 6.3833 400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 400.0 nM 6.4 In vitro inhibition of lipid autoxidation (TBARS formation) of rat brain homogen... 7853338
Rattus norvegicus IC50 = 400.0 nM 6.4 In vitro inhibition of lipid autoxidation (TBARS formation) of rat brain homogen... 7853338
Rattus norvegicus IC50 = 450.0 nM 6.35 In vitro inhibition of lipid autoxidation (TBARS formation) of rat brain homogen... 7853338

Literature References

PubMed DOI Target Context # Activities
7853338 10.1021/jm00003a008 Rattus norvegicus 3
7853338 10.1021/jm00003a008 Mus musculus 3
7853338 10.1021/jm00003a008 Unchecked 3

Data from ChEMBL 36 via Core Engine