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Compound Detail

CHEMBL4862187

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COc1cccc(-n2nnc(C(=O)Nc3ccc4c(c3)B(O)OC4)c2C)n1

Basic Information

ChEMBL ID CHEMBL4862187
Phase Preclinical
Structure Type MOL
InChI Key ARTOQQMKGHQALV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names

Molecular Properties

365.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16BN5O4
MW 365.16

Activity Summary

EC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Leishmania infantum
CHEMBL612848
EC50 6.1 6.1 800.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 23.0 mL.min-1.g-1 Homo sapiens
CL 40.0 mL.min-1.g-1 Mesocricetus auratus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Leishmania infantum EC50 = 800.0 nM 6.1 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