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

CHEMBL1322375

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(/C=C2/CC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O

Basic Information

ChEMBL ID CHEMBL1322375
Phase Preclinical
Structure Type MOL
InChI Key NZSRSKNDCCSSGY-VULZFCBJSA-N
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.94
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O5
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.19

Activity Summary

EC50 6 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.18 5.18 6570.0 1
Streptococcus sp. 'group A'
CHEMBL612389
EC50 4.8 4.8 15803.0 1
Streptokinase A
CHEMBL1293228
EC50 4.79 4.79 16338.0 1
Streptococcus
CHEMBL612313
EC50 4.12 4.12 76665.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine