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

CHEMBL379631

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
CCCCCc1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379631
Phase Preclinical
Structure Type MOL
InChI Key DUTSXLGAHZCILX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
4.32
ALogP
6
HBA
1
HBD
70.8
PSA (Ų)
0.53
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 C19H25NO4S
MW 363.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.18

Activity Summary

IC50 2 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 5.88 5.88 1325.0 1
K562
CHEMBL385
 IC50 5.83 5.83 1490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 1325.0 nM 5.88 Antiproliferative activity against mouse L1210 cell line 16789746
K562 IC50 = 1490.0 nM 5.83 Antiproliferative activity against human K562 cell line 16789746

Literature References

PubMed DOI Target Context # Activities
16789746 10.1021/jm060355e L1210 1
16789746 10.1021/jm060355e K562 1

Data from ChEMBL 36 via Core Engine