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

CHEMBL4791691

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
Cc1ccc2c(Cl)c(C(=O)Nc3nc4c(s3)C(=O)CCC4)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4791691
Phase Preclinical
Structure Type MOL
InChI Key YMOMSQCUZDJFDJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.9
MW (Da)
5.09
ALogP
5
HBA
1
HBD
59.1
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13ClN2O2S2
MW 376.89
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.20

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 IC50 5.11 5.11 7770.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 7770.0 nM 5.11 Antitrypanosomal activity against Trypanosoma brucei brucei 427 assessed as para... 34095848

Literature References

PubMed DOI Target Context # Activities
34095848 10.1039/d0md00277a Trypanosoma brucei brucei 1
34095848 10.1039/d0md00277a HEK293 1
34095848 10.1039/d0md00277a Unchecked 1

Data from ChEMBL 36 via Core Engine