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Compound Detail

CHEMBL5573574

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

Basic Information

ChEMBL ID CHEMBL5573574
Phase Preclinical
Structure Type MOL
InChI Key BMEXUFQWAIJXNV-PKFCDNJMSA-N
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names

Molecular Properties

372.2
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H29BN6O5
MW 372.24

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 6.8 6.8 160.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 5.87 mL.min-1.kg-1 Rattus norvegicus
F 18.8 % Rattus norvegicus
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 = 160.0 nM 6.8 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 12
38096651 10.1016/j.ejmech.2023.116033 Arginase-1 1
38096651 10.1016/j.ejmech.2023.116033 Unchecked 1
38096651 10.1016/j.ejmech.2023.116033 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine