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Compound Detail

CHEMBL5593553

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N[C@@H](CCC(=O)O)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5593553
Phase Preclinical
Structure Type MOL
InChI Key XPMOLDVZMUDWCJ-MWODSPESSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24BN3O7
MW 345.16

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 IC50 6.17 6.17 680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 680.0 nM 6.17 Inhibition of human recombinant ARG1 expressed in Escherichia coli using L-argin... 38096651

Literature References

PubMed DOI Target Context # Activities
38096651 10.1016/j.ejmech.2023.116033 Arginase-1 1
38096651 10.1016/j.ejmech.2023.116033 Unchecked 1

Data from ChEMBL 36 via Core Engine