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Compound Detail

CHEMBL4850213

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

Basic Information

ChEMBL ID CHEMBL4850213
Phase Preclinical
Structure Type MOL
InChI Key YSLBIQIMRUSEHO-RCWTZXSCSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.2
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H26BN3O5
MW 315.18

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
 IC50 8.7 8.7 2.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 13.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 2.0 nM 8.7 Inhibition of human recombinant ARG1 expressed in Escherichia coli using thioarg... 34527178

Literature References

PubMed DOI Target Context # Activities
34527178 10.1021/acsmedchemlett.1c00195 ADMET 2
34527178 10.1021/acsmedchemlett.1c00195 Arginase-1 1

Data from ChEMBL 36 via Core Engine