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Compound Detail

CHEMBL290378

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Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H](CCCN=C(N)N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1

Basic Information

ChEMBL ID CHEMBL290378
Phase Preclinical
Structure Type MOL
InChI Key QKHXNTVBIWNRNM-BTKKBZPISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H37BN6O3
MW 504.44

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 10.0 nM 8.0 Inhibition of thrombin -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00254-0 Prothrombin 1

Data from ChEMBL 36 via Core Engine