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

CHEMBL166664

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
COc1c(C)c2c(c(O)c1CSCCCC(=O)O)C(=O)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166664
Phase Preclinical
Structure Type MOL
InChI Key ZARBRKPGRSOJRQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
2.48
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18O6S
MW 326.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.60

Activity Summary

IC50 1 meas. best 4.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Inosine-5'-monophosphate dehydrogenase 1
CHEMBL1822
 IC50 4.64 4.64 22700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Inosine-5'-monophosphate dehydrogenase 1 IC50 = 22700.0 nM 4.64 In vitro inhibition of inosine Inosine-5'-monophosphate dehydrogenase 1967654

Literature References

PubMed DOI Target Context # Activities
1967654 10.1021/jm00164a057 ADMET 3
1967654 10.1021/jm00164a057 Inosine-5'-monophosphate dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine