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

CHEMBL5411841

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
CO[C@]12CC(=O)O[C@]13C(=O)c1c(cc4cc(O)c5c(c4c1O)CN(C)C5=O)C(=O)[C@]3(O[C@H]1CC[C@H](O)[C@H](C)O1)CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411841
Phase Preclinical
Structure Type MOL
InChI Key XFQJOLWXLJXJSV-VUAGTGNDSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

569.5
MW (Da)
0.92
ALogP
12
HBA
3
HBD
178.4
PSA (Ų)
0.45
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H27NO12
MW 569.52
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness 1.71

Activity Summary

IC50 2 meas. best 6.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
EL4
CHEMBL614293
 IC50 6.95 6.95 112.0 1
L1210
CHEMBL386
 IC50 6.82 6.82 153.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
EL4 IC50 = 112.0 nM 6.95 Cytotoxicity against mouse EL4 cells assessed as inhibition of cell proliferatio... 38092421
L1210 IC50 = 153.0 nM 6.82 Antiproliferative activity against mouse L1210 cells assessed as reduction in ce... 38092421

Literature References

PubMed DOI Target Context # Activities
38092421 10.1021/acs.jmedchem.3c01130 EL4 1
38092421 10.1021/acs.jmedchem.3c01130 L1210 1

Data from ChEMBL 36 via Core Engine