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

CHEMBL150902

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
CCCOC(=O)c1ccc2[nH]c(NC(=O)OC)nc2c1

Basic Information

ChEMBL ID CHEMBL150902
Phase Preclinical
Structure Type MOL
InChI Key KXMQFXVGPCUWIB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

277.3
MW (Da)
2.31
ALogP
5
HBA
2
HBD
93.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15N3O4
MW 277.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 5.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 5.13 5.13 7400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 7400.0 nM 5.13 In vitro for its inhibitory activity against L1210 murine leukemia cell growth 1738146

Literature References

PubMed DOI Target Context # Activities
1738146 10.1021/jm00081a016 L1210 2
1738146 10.1021/jm00081a016 Acanthocheilonema viteae 1

Data from ChEMBL 36 via Core Engine