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Compound Detail

CHEMBL4872513

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COc1ccccc1-n1cc(C(=O)Nc2ccc3c(c2)B(O)OC3)c(C)n1

Basic Information

ChEMBL ID CHEMBL4872513
Phase Preclinical
Structure Type MOL
InChI Key RXQSQZPBRCEINW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

363.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BN3O4
MW 363.18

Activity Summary

EC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania infantum
CHEMBL612848
EC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania infantum EC50 = 2200.0 nM 5.66 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