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

CHEMBL5184125

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
CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)C1CCCN(OC(=O)c2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5184125
Phase Preclinical
Structure Type MOL
InChI Key RHCXDUUYRRYNLW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

527.5
MW (Da)
4.07
ALogP
10
HBA
0
HBD
134.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34NO10P
MW 527.51
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 0.06

Activity Summary

IC50 2 meas. best 7.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D-423MG
CHEMBL2366134
 IC50 7.41 7.41 39.0 1
Unchecked
CHEMBL612545
 IC50 5.76 5.76 1728.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D-423MG IC50 = 39.0 nM 7.41 Cytotoxicity against human D-423MG cells assessed as cell growth inhibition incu... 36251833
Unchecked IC50 = 1728.0 nM 5.76 Cytotoxicity against human LN-319 cells expressing ENO1 assessed as cell growth ... 36251833

Literature References

PubMed DOI Target Context # Activities
36251833 10.1021/acs.jmedchem.2c01039 D-423MG 2
36251833 10.1021/acs.jmedchem.2c01039 Unchecked 1
36251833 10.1021/acs.jmedchem.2c01039 Panel NCI-60 (60 carcinoma cell lines) 1

Data from ChEMBL 36 via Core Engine