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Compound Detail

CHEMBL4553794

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

Basic Information

ChEMBL ID CHEMBL4553794
Phase Preclinical
Structure Type MOL
InChI Key NDZPRHZISXYFRQ-XPUUQOCRSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

216.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17BN2O4
MW 216.05

Activity Summary

IC50 8 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 IC50 6.96 6.402 110.0 5
Unchecked
CHEMBL612545
 IC50 6.36 6.36 440.0 1
Arginase-2, mitochondrial
CHEMBL1795148
 IC50 6.2 5.95 625.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 110.0 nM 6.96 Inhibition of human recombinant arginase 1 expressed in Escherichia coli BL21 (D... 31408339
Arginase-1 IC50 = 113.0 nM 6.95 Inhibition of human arginase1 in presence of DNTB by thio ornithine generation a... 32292567
Unchecked IC50 = 440.0 nM 6.36 Inhibition of human recombinant arginase 2 H331 to I354 deletion mutant expresse... 31408339
Arginase-1 IC50 = 625.0 nM 6.2 Inhibition Assay of Arginase: Inhibition of arginase I (ARG I) and arginase II (... -
Arginase-2, mitochondrial IC50 = 625.0 nM 6.2 Inhibition Assay of Arginase: Inhibition of arginase I (ARG I) and arginase II (... -
Arginase-1 IC50 = 625.0 nM 6.2 Inhibition of Arginase: Inhibition of arginase I (ARG I) and arginase II (ARG II... -
Arginase-1 IC50 = 2000.0 nM 5.7 Inhibition Assay: Inhibition of arginase I (ARG I) and arginase II (ARG II) by F... -
Arginase-2, mitochondrial IC50 = 2000.0 nM 5.7 Inhibition Assay: Inhibition of arginase I (ARG I) and arginase II (ARG II) by F... -

Literature References

PubMed DOI Target Context # Activities
31408339 10.1021/acs.jmedchem.9b00931 Unchecked 2
31408339 10.1021/acs.jmedchem.9b00931 Arginase-1 1
32292567 10.1021/acsmedchemlett.0c00058 Arginase-1 1

Data from ChEMBL 36 via Core Engine