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Compound Detail

CHEMBL5171566

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

Basic Information

ChEMBL ID CHEMBL5171566
Phase Preclinical
Structure Type MOL
InChI Key ITCRTGVYKNEDCJ-WFGGJUAMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H32BN3O5
MW 357.26

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 7.0 7.0 100.0 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 recombinant human ARG1 expressed in Escherichia coli using L-argin... 36262385
Arginase-2, mitochondrial IC50 = 100.0 nM 7.0 Inhibition of recombinant human ARG2 expressed in Escherichia coli using L-argin... 36262385

Literature References

PubMed DOI Target Context # Activities
36262385 10.1021/acsmedchemlett.2c00395 Arginase-1 1
36262385 10.1021/acsmedchemlett.2c00395 Arginase-2, mitochondrial 1

Data from ChEMBL 36 via Core Engine