Compound Detail

CHEMBL239747

Enter ChEMBL ID:

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

CC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL239747
Phase	Preclinical
Structure Type	MOL
InChI Key	XNOVFNOSXDKSSL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

452.4

MW (Da)

4.35

ALogP

HBA

HBD

126.5

PSA (Å²)

0.22

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 8.14

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Urokinase-type plasminogen activator CHEMBL3286	IC50	8.14	8.14	7.2	1
Prothrombin CHEMBL204	IC50	4.49	4.49	32200.0	1
Tissue-type plasminogen activator CHEMBL1873	IC50	4.44	4.44	36600.0	1
Plasminogen CHEMBL1801	IC50	4.24	4.24	57000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urokinase-type plasminogen activator	IC50	=	7.2	nM	8.14	Inhibition of human uPA	18052026
Prothrombin	IC50	=	32200.0	nM	4.49	Inhibition of human thrombin	18052026
Tissue-type plasminogen activator	IC50	=	36600.0	nM	4.44	Inhibition of human recombinant tPA	18052026
Plasminogen	IC50	=	57000.0	nM	4.24	Inhibition of human plasmin	18052026

PubMed	DOI	Target Context	# Activities
18052026	10.1021/jm700962j	Unchecked	3
18052026	10.1021/jm700962j	Urokinase-type plasminogen activator	2
18052026	10.1021/jm700962j	Tissue-type plasminogen activator	1
18052026	10.1021/jm700962j	Plasminogen	1
18052026	10.1021/jm700962j	Prothrombin	1
18052026	10.1021/jm700962j	Coagulation factor X	1

Data from ChEMBL 36 via Core Engine