Compound Detail

CHEMBL1945764

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COC(=O)c1cccc(-c2ccc(NC(=O)c3ccc4cc(OC)ccc4c3)cc2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1945764
Phase	Preclinical
Structure Type	MOL
InChI Key	KITOSZHJNFIMCN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

411.5

MW (Da)

5.55

ALogP

HBA

HBD

64.6

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.4

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Plasminogen CHEMBL1801	IC50	5.4	5.4	4000.0	1
Urokinase-type plasminogen activator CHEMBL3286	IC50	5.4	5.4	4000.0	1
Tissue-type plasminogen activator CHEMBL1873	IC50	5.08	5.08	8400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urokinase-type plasminogen activator	IC50	=	4000.0	nM	5.4	Inhibition of human uPA using pyroGlu-Gly-Arg-p-NA.HCl as substrate preincubated...	22285569
Plasminogen	IC50	=	4000.0	nM	5.4	Inhibition of human plasma plasmin using pyroGlu-Pro-Arg-p-NA.HCl as substrate p...	22285569
Tissue-type plasminogen activator	IC50	=	8400.0	nM	5.08	Inhibition of recombinant tPA using H-D-Ile-Pro-Arg-pNA.2HCl as substrate preinc...	22285569

PubMed	DOI	Target Context	# Activities
22285569	10.1016/j.bmc.2011.12.040	Urokinase-type plasminogen activator	1
22285569	10.1016/j.bmc.2011.12.040	Plasminogen	1
22285569	10.1016/j.bmc.2011.12.040	Tissue-type plasminogen activator	1
22285569	10.1016/j.bmc.2011.12.040	Prothrombin	1

Data from ChEMBL 36 via Core Engine