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Compound Detail

CHEMBL4755855

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C[C@@H]1N(C(=O)CN)C[C@@H](CCB(O)O)C[C@]1(N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755855
Phase Preclinical
Structure Type MOL
InChI Key RGWSJMIMCTVGPJ-DKCNOQQISA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

287.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22BN3O5
MW 287.12

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 IC50 9.0 9.0 1.0 1
Arginase-2, mitochondrial
CHEMBL1795148
 IC50 6.3 6.3 500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 1.0 nM 9.0 Inhibition of human Arg1 32828425
Arginase-2, mitochondrial IC50 = 500.0 nM 6.3 Inhibition of human Arg2 32828425

Literature References

PubMed DOI Target Context # Activities
32828425 10.1016/j.bmc.2020.115658 Arginase-1 1
32828425 10.1016/j.bmc.2020.115658 Arginase-2, mitochondrial 1

Data from ChEMBL 36 via Core Engine