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Compound Detail

CHEMBL4763578

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

Basic Information

ChEMBL ID CHEMBL4763578
Phase Preclinical
Structure Type MOL
InChI Key SQYICQFLEQDQHO-VQVTYTSYSA-N
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

216.1
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H17BN2O4
MW 216.05

Activity Summary

IC50 2 meas. best 8.52
EC50 1 meas. best 4.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Arginase-1
CHEMBL1075097
IC50 8.52 8.505 3.0 2
Arginase-1
CHEMBL1075097
EC50 4.7 4.7 20000.0 1

Pharmacokinetic Data

Parameter Value Units Species
F 14.0 % Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34527178 10.1021/acsmedchemlett.1c00195 Arginase-1 2
32828425 10.1016/j.bmc.2020.115658 Arginase-1 1
34527178 10.1021/acsmedchemlett.1c00195 ADMET 1

Data from ChEMBL 36 via Core Engine