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

CHEMBL203976

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
O=C(O)c1nc(C2CCCCC2)nc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203976
Phase Preclinical
Structure Type MOL
InChI Key SKQSAVBVNPPLAZ-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
1.63
ALogP
5
HBA
3
HBD
103.5
PSA (Ų)
0.72
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 C11H14N2O4
MW 238.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 5.55
Kd 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 5.66 5.66 2200.0 1
Unchecked
CHEMBL612545
 IC50 5.55 5.55 2800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 2200.0 nM 5.66 Binding affinity to human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged E... 39015284
Unchecked IC50 = 2800.0 nM 5.55 Inhibition of human Avi-tagged MUS81 (246 to 551 residues)/2x8His-tagged EME1 (2... 39015284

Literature References

PubMed DOI Target Context # Activities
16509585 10.1021/jm051064t RNA-directed RNA polymerase 5
39015284 10.1021/acsmedchemlett.3c00453 Unchecked 2
16509585 10.1021/jm051064t No relevant target 1

Data from ChEMBL 36 via Core Engine