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

CHEMBL384313

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(=O)c2sc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL384313
Phase Preclinical
Structure Type MOL
InChI Key KFBZMLPROZRPHE-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
4.28
ALogP
9
HBA
1
HBD
98.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25NO7S
MW 459.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.27

Activity Summary

IC50 4 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
CCRF-CEM
CHEMBL382
 IC50 6.08 6.08 840.0 1
MOLT-4
CHEMBL614177
 IC50 5.92 5.92 1200.0 1
L1210
CHEMBL386
 IC50 5.64 5.64 2300.0 1
FM3A
CHEMBL614297
 IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
CCRF-CEM IC50 = 840.0 nM 6.08 Antiproliferative activity against human CEM cells 17034150
MOLT-4 IC50 = 1200.0 nM 5.92 Antiproliferative activity against human Molt4/C8 cells 17034150
L1210 IC50 = 2300.0 nM 5.64 Antiproliferative activity against mouse L1210 cells 17034150
FM3A IC50 = 3500.0 nM 5.46 Antiproliferative activity against mouse FM3A cells 17034150

Literature References

PubMed DOI Target Context # Activities
17034150 10.1021/jm060804a L1210 1
17034150 10.1021/jm060804a FM3A 1
17034150 10.1021/jm060804a MOLT-4 1
17034150 10.1021/jm060804a CCRF-CEM 1

Data from ChEMBL 36 via Core Engine