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

CHEMBL4569151

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(Oc1ccccc1-c1cc2ccccc2[nH]1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569151
Phase Preclinical
Structure Type MOL
InChI Key ZMAWHOKWRLMZSM-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
5.05
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15NO2
MW 313.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.46

Activity Summary

EC50 2 meas. best 4.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.42 4.42 38000.0 1
U-251
CHEMBL615022
 EC50 4.41 4.41 39000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 38000.0 nM 4.42 Antiproliferative activity against human IN1528 cells after 72 hrs by sulforhoda... 30568753
U-251 EC50 = 39000.0 nM 4.41 Antiproliferative activity against human U251MG cells after 72 hrs by sulforhoda... 30568753

Literature References

PubMed DOI Target Context # Activities
30568753 10.1039/C8MD00436F Unchecked 2
30568753 10.1039/C8MD00436F U-251 1

Data from ChEMBL 36 via Core Engine