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Compound Detail

CHEMBL296663

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CC1(C)C2CC1[C@]1(C)OB([C@H](CCCN=C(N)N)NC(=O)c3ccc(-c4ccccc4)cc3N)O[C@@H]1C2

Basic Information

ChEMBL ID CHEMBL296663
Phase Preclinical
Structure Type MOL
InChI Key GEGPKJUQKQSQAE-FIBRCKFESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38BN5O3
MW 503.46

Activity Summary

Ki 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.89 8.89 1.3 1
Serine protease 1
CHEMBL209
Ki 8.28 8.28 5.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 1.3 nM 8.89 Inhibition of thrombin -
Serine protease 1 Ki = 5.3 nM 8.28 Inhibition of trypsin -

Literature References

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

Data from ChEMBL 36 via Core Engine