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Compound Detail

CHEMBL5569448

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C[C@H](N)C(=O)N1C[C@@H](CCB(O)O)C[C@](N)(C(=O)O)C1

Basic Information

ChEMBL ID CHEMBL5569448
Phase Preclinical
Structure Type MOL
InChI Key PQGFLCPJFFDDGN-DKCNOQQISA-N
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names

Molecular Properties

287.1
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H22BN3O5
MW 287.13

Activity Summary

IC50 1 meas. best 6.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 6.57 6.57 270.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 5.87 mL.min-1.kg-1 Rattus norvegicus
F 18.8 % Rattus norvegicus
F 58.0 % Mus musculus
T1/2 2.66 hr Rattus norvegicus
Tmax 1.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Arginase-1 IC50 = 270.0 nM 6.57 Inhibition of human recombinant ARG1 expressed in Escherichia coli using L-argin... 38096651

Literature References

PubMed DOI Target Context # Activities
38096651 10.1016/j.ejmech.2023.116033 ADMET 9
38096651 10.1016/j.ejmech.2023.116033 Arginase-1 1
38096651 10.1016/j.ejmech.2023.116033 Unchecked 1

Data from ChEMBL 36 via Core Engine