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Compound Detail

CHEMBL4778086

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CC(C)[C@H](N)C(=O)N[C@H]1CCN[C@@](CCCCB(O)O)(C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778086
Phase Preclinical
Structure Type MOL
InChI Key LYMTVASYYCLIRY-SLEUVZQESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

343.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H30BN3O5
MW 343.23

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-2, mitochondrial
CHEMBL1795148
 IC50 7.62 7.62 24.0 1
Arginase-1
CHEMBL1075097
 IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-2, mitochondrial IC50 = 24.0 nM 7.62 Inhibition of human recombinant arginase 2 expressed in Escherichia coli using t... 33335657
Arginase-1 IC50 = 29.0 nM 7.54 Inhibition of human recombinant arginase 1 expressed in Escherichia coli using t... 33335657

Literature References

PubMed DOI Target Context # Activities
33335657 10.1021/acsmedchemlett.0c00593 Arginase-1 1
33335657 10.1021/acsmedchemlett.0c00593 Arginase-2, mitochondrial 1

Data from ChEMBL 36 via Core Engine