Compound Detail

CHEMBL1809213

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

N=C(N)NCCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1809213
Phase	Preclinical
Structure Type	MOL
InChI Key	BLGLANVTAVMSKF-PKTZIBPZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

570.7

MW (Da)

0.72

ALogP

HBA

HBD

207.3

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 9.41

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prothrombin CHEMBL204	Ki	9.41	9.41	0.4	1
Coagulation factor X CHEMBL244	Ki	8.57	8.57	2.7	1
Transmembrane protease serine 11D CHEMBL1795138	Ki	7.89	7.89	13.0	1
Plasminogen CHEMBL1801	Ki	7.76	7.76	17.5	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prothrombin	Ki	=	0.39	nM	9.41	Inhibition of thrombin	21741839
Coagulation factor X	Ki	=	2.7	nM	8.57	Inhibition of factor 10a	21741839
Transmembrane protease serine 11D	Ki	=	13.0	nM	7.89	Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohe...	21741839
Plasminogen	Ki	=	17.5	nM	7.76	Inhibition of plasmin	21741839

PubMed	DOI	Target Context	# Activities
21741839	10.1016/j.bmcl.2011.06.033	Transmembrane protease serine 11D	1
21741839	10.1016/j.bmcl.2011.06.033	Prothrombin	1
21741839	10.1016/j.bmcl.2011.06.033	Coagulation factor X	1
21741839	10.1016/j.bmcl.2011.06.033	Plasminogen	1

Data from ChEMBL 36 via Core Engine