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Compound Detail

CHEMBL423259

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CN(CC(=O)N[C@@H](CCCSC(=N)N)B(O)O)C(=O)CCc1ccccc1

Basic Information

ChEMBL ID CHEMBL423259
Phase Preclinical
Structure Type MOL
InChI Key XXHIBKBXOAVNDA-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H27BN4O4S
MW 394.31

Activity Summary

Ki 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 0.3 nM 9.52 Inhibition against human thrombin 9871540

Literature References

PubMed DOI Target Context # Activities
9871540 10.1016/s0960-894x(98)00104-8 Prothrombin 1

Data from ChEMBL 36 via Core Engine