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Compound Detail

CHEMBL4648504

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CN[C@@H]1C[C@@H]2C[C@@](N)(C(=O)O)[C@@H](CCCB(O)O)[C@@H]2[C@H]1F

Basic Information

ChEMBL ID CHEMBL4648504
Phase Preclinical
Structure Type MOL
InChI Key IFKCUJGGILAAIM-KXTOZSSYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H24BFN2O4
MW 302.16

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 7.0 nM 8.15 Inhibition of human arginase1 in presence of DNTB by thio ornithine generation a... 32292567

Literature References

PubMed DOI Target Context # Activities
32292567 10.1021/acsmedchemlett.0c00058 Arginase-1 1
32828425 10.1016/j.bmc.2020.115658 Arginase-1 1

Data from ChEMBL 36 via Core Engine