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Compound Detail

CHEMBL2028996

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CC(=O)N1CCC[C@H]1C(=O)NC(CCCN=C(N)N)B(O)O

Basic Information

ChEMBL ID CHEMBL2028996
Phase Preclinical
Structure Type MOL
InChI Key BIDABHUSFRQVKW-RGURZIINSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H24BN5O4
MW 313.17

Activity Summary

Ki 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.48 8.48 3.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 3.3 nM 8.48 Inhibition constant for binding with thrombin was determined 8515421

Literature References

PubMed DOI Target Context # Activities
8515421 10.1021/jm00065a005 Prothrombin 1

Data from ChEMBL 36 via Core Engine