Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL431814

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CNC(=N)NCCC[C@H](NC(=O)CN(C)C(=O)CCc1ccccc1)B(O)O

Basic Information

ChEMBL ID CHEMBL431814
Phase Preclinical
Structure Type MOL
InChI Key SKYLWGMFRJDRGN-HNNXBMFYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

391.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H30BN5O4
MW 391.28

Activity Summary

Ki 4 meas. best 8.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Prothrombin
CHEMBL204
Ki 8.68 8.68 2.1 1
Serine protease 1
CHEMBL209
Ki 7.75 7.75 18.0 1
Prothrombin
CHEMBL4471
Ki 5.82 5.82 1500.0 1
Plasminogen
CHEMBL1801
Ki 4.85 4.85 14000.0 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 Serine protease 1 1
- 10.1016/S0960-894X(96)00525-2 Thrombin & trypsin 1
- 10.1016/S0960-894X(96)00525-2 Plasminogen 1
- 10.1016/S0960-894X(96)00525-2 Unchecked 1

Data from ChEMBL 36 via Core Engine