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Compound Detail

CHEMBL317639

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CC(C)(CN(CC(=O)NC(CCC/N=C/N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL317639
Phase Preclinical
Structure Type MOL
InChI Key LTVJYZXRRBSKBE-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

480.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H37BN4O4
MW 480.42

Activity Summary

Ki 2 meas. best 8.92
IC50 1 meas. best 5.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.92 8.92 1.2 1
Coagulation factor X
CHEMBL244
Ki 7.1 7.1 80.0 1
Unchecked
CHEMBL612545
IC50 5.16 5.16 6900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9871674 10.1016/s0960-894x(98)00013-4 Unchecked 2
9871674 10.1016/s0960-894x(98)00013-4 Prothrombin 1
9871674 10.1016/s0960-894x(98)00013-4 Coagulation factor X 1
9871674 10.1016/s0960-894x(98)00013-4 Thrombin and coagulation factor X 1
9871674 10.1016/s0960-894x(98)00013-4 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine