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

CHEMBL24840

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
COc1cc(NC(=O)C(=O)NC(C)(C)CN(C)C)ccc1-c1cnco1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24840
Phase Preclinical
Structure Type MOL
InChI Key WCGUNBGJDAKQDV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
1.75
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24N4O4
MW 360.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 2
CHEMBL2002
 IC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inosine-5'-monophosphate dehydrogenase 2 IC50 = 47.0 nM 7.33 Inhibition of human Inosine-5'-monophosphate dehydrogenase 2 11965381

Literature References

PubMed DOI Target Context # Activities
11965381 10.1016/s0960-894x(02)00132-4 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine