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Compound Detail

CHEMBL291085

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CCCCCCCCC(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

Basic Information

ChEMBL ID CHEMBL291085
Phase Preclinical
Structure Type MOL
InChI Key GIZOLJFZRGOBAC-GKZAWMSCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

699.7
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H58BN3O6
MW 699.74

Activity Summary

Ki 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 43.0 nM 7.37 Binding affinity against thrombin 7739010

Literature References

PubMed DOI Target Context # Activities
7739010 10.1021/jm00009a012 Prothrombin 2
7739010 10.1021/jm00009a012 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine