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Compound Detail

CHEMBL101759

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NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O

Basic Information

ChEMBL ID CHEMBL101759
Phase Preclinical
Structure Type MOL
InChI Key NZEDSGTYZINZBH-FQEVSTJZSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

411.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30BN3O4
MW 411.31

Activity Summary

Ki 4 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.85 8.85 1.4 1
Prothrombin
CHEMBL4471
Ki 6.82 6.82 150.0 1
Plasminogen
CHEMBL1801
Ki 6.64 6.64 230.0 1
Tissue-type plasminogen activator
CHEMBL1873
Ki 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00525-2 Prothrombin 2
- 10.1016/S0960-894X(96)00525-2 Unchecked 2
- 10.1016/S0960-894X(96)00525-2 Plasminogen 1
- 10.1016/S0960-894X(96)00525-2 Tissue-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine