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Compound Detail

CHEMBL4590074

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Cc1nn(C)c(C)c1CN1C[C@H](CCCB(O)O)[C@](N)(C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4590074
Phase Preclinical
Structure Type MOL
InChI Key LCHYEVNQDRCAJX-WFASDCNBSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H27BN4O4
MW 338.22

Activity Summary

IC50 2 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 IC50 6.47 6.47 340.0 1
Unchecked
CHEMBL612545
 IC50 5.65 5.65 2230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 340.0 nM 6.47 Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (D... 31408339
Unchecked IC50 = 2230.0 nM 5.65 Inhibition of human recombinant arginase 2 H331 to I354 deletion mutant expresse... 31408339

Literature References

PubMed DOI Target Context # Activities
31408339 10.1021/acs.jmedchem.9b00931 Unchecked 2
31408339 10.1021/acs.jmedchem.9b00931 Arginase-1 1

Data from ChEMBL 36 via Core Engine