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

CHEMBL5958435

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
CC(C)(C)c1ccc(C(=O)Nc2ccc(O)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5958435
Phase Preclinical
Structure Type MOL
InChI Key LAGFBMMNRGKIJC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

270.3
MW (Da)
3.34
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O2
MW 270.33
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sphingolipid delta(4)-desaturase DES1
CHEMBL2021749
 IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sphingolipid delta(4)-desaturase DES1 IC50 = 4.0 nM 8.4 Des1 Activity Assays: Jurkat clone E6-1 cells were grown and then seeded at 106 ... -

Data from ChEMBL 36 via Core Engine