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

CHEMBL102033

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
CCOC(=O)c1sc(Nc2nc(NCc3ccc(S(C)(=O)=O)cc3)c3c(ncn3CC)n2)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL102033
Phase Preclinical
Structure Type MOL
InChI Key BKICPQNUUUABHX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
3.55
ALogP
12
HBA
2
HBD
141.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N7O4S2
MW 515.62
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.26 7.26 55.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 55.0 nM 7.26 Inhibition of Phosphodiesterase 7 15125967

Literature References

PubMed DOI Target Context # Activities
15125967 10.1016/j.bmcl.2004.03.021 Unchecked 6

Data from ChEMBL 36 via Core Engine