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

CHEMBL247533

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
COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)sc2Cc2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL247533
Phase Preclinical
Structure Type MOL
InChI Key BNTNNGPIKLYSCX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.44
ALogP
7
HBA
2
HBD
104.1
PSA (Ų)
0.61
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 C22H20N4O4S
MW 436.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 10000.0 nM 5.0 Inhibition EGF-dependent mitogenesis of mouse BaF/ERX cells by [3H]thymidine inc... 17462892

Literature References

PubMed DOI Target Context # Activities
17462892 10.1016/j.bmcl.2007.04.017 Unchecked 1

Data from ChEMBL 36 via Core Engine