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

CHEMBL4862021

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
Cc1cccc(-n2nnc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2C)n1

Basic Information

ChEMBL ID CHEMBL4862021
Phase Preclinical
Structure Type MOL
InChI Key KIASHLHEXMLQSS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

349.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16BN5O3
MW 349.16

Activity Summary

EC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania infantum
CHEMBL612848
EC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania infantum EC50 = 6400.0 nM 5.19 Antileishmanial activity against amastigote stage of Leishmania infantum MHOM/MA... 34711050

Literature References

PubMed DOI Target Context # Activities
34711050 10.1021/acs.jmedchem.1c01437 ADMET 3
34711050 10.1021/acs.jmedchem.1c01437 Peritoneal macrophage 1
34711050 10.1021/acs.jmedchem.1c01437 Leishmania infantum 1
34711050 10.1021/acs.jmedchem.1c01437 MRC5 1

Data from ChEMBL 36 via Core Engine