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

CHEMBL5285296

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
N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(Br)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5285296
Phase Preclinical
Structure Type MOL
InChI Key GBXWGXGDISFIGS-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.2
MW (Da)
1.82
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15BrN4O2
MW 387.24
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.02

Activity Summary

Ki 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cruzipain
CHEMBL3563
 Ki 6.6 6.6 251.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cruzipain Ki = 251.0 nM 6.6 Binding affinity to Trypanosoma cruzi Cruzain assessed as inhibition constant 30282318

Literature References

PubMed DOI Target Context # Activities
30282318 10.1016/j.ejmech.2018.08.079 Cruzipain 1

Data from ChEMBL 36 via Core Engine