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

CHEMBL4541426

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(=O)Oc1cc(-n2c(C)ccc2C)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541426
Phase Preclinical
Structure Type MOL
InChI Key UUHMEPFWEIWLIT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

273.3
MW (Da)
2.72
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO4
MW 273.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.70

Activity Summary

EC50 2 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NCI-H2171
CHEMBL2366213
 EC50 4.17 4.17 67900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NCI-H2171 EC50 = 67900.0 nM 4.17 Cytotoxic activity against human NCI-H2171 cells assessed as reduction in cell v... -

Data from ChEMBL 36 via Core Engine