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

CHEMBL2402198

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@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)N(C)C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402198
Phase Preclinical
Structure Type MOL
InChI Key YBWIIGBTGXNMPW-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
1.00
ALogP
6
HBA
1
HBD
94.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4O4
MW 346.39
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.86

Activity Summary

IC50 1 meas. best 8.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.27 8.27 5.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5.4 nM 8.27 Inhibition of Trypanosoma brucei recombinant rhodesain 23611656

Literature References

PubMed DOI Target Context # Activities
23611656 10.1021/jm301424d Unchecked 1

Data from ChEMBL 36 via Core Engine