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Compound Detail

CHEMBL40364

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CC1(C)C2CC1[C@]1(C)OB([C@H](CCCN=C(N)N)NC(=O)c3ccc(-c4ccccc4)o3)O[C@@H]1C2

Basic Information

ChEMBL ID CHEMBL40364
Phase Preclinical
Structure Type MOL
InChI Key HPDQISLSNJJTKU-SAGWSTNZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

478.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35BN4O4
MW 478.40

Activity Summary

Ki 1 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 6.86 6.86 137.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Prothrombin Ki = 137.0 nM 6.86 Inhibition of thrombin -

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