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

CHEMBL2024547

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)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccc(Cl)cc2)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2024547
Phase Preclinical
Structure Type MOL
InChI Key RYEBODLANJFWOH-SFGFDRCGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
1.39
ALogP
3
HBA
3
HBD
94.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN4O2
MW 370.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.03

Activity Summary

IC50 1 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 IC50 6.15 6.15 709.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 IC50 = 709.0 nM 6.15 Cytotoxicity against human HT-29 cells after 48 hrs using resazurin by microplat... 22185476

Literature References

PubMed DOI Target Context # Activities
22185476 10.1021/jm2009088 Unchecked 1
22185476 10.1021/jm2009088 HT-29 1

Data from ChEMBL 36 via Core Engine