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Compound Detail

CHEMBL4748950

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

Basic Information

ChEMBL ID CHEMBL4748950
Phase Preclinical
Structure Type MOL
InChI Key IMIQJHHIHJHTTL-VPOLOUISSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

329.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H28BN3O5
MW 329.21

Activity Summary

IC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 9.1 9.1 0.8 1

Pharmacokinetic Data

Parameter Value Units Species
F 34.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 0.8 nM 9.1 Inhibition of human Arg1 by TOGA assay 32828425

Literature References

PubMed DOI Target Context # Activities
32828425 10.1016/j.bmc.2020.115658 Arginase-1 1
34527178 10.1021/acsmedchemlett.1c00195 Arginase-1 1
34527178 10.1021/acsmedchemlett.1c00195 ADMET 1

Data from ChEMBL 36 via Core Engine