Compound Detail

CHEMBL61608

Enter ChEMBL ID:

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

CC(=O)N(O)Cc1ccc(OCc2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL61608
Phase	Preclinical
Structure Type	MOL
InChI Key	LWIAYVCOMRXMSJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

271.3

MW (Da)

3.00

ALogP

HBA

HBD

49.8

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.34

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312	IC50	6.34	6.34	460.0	1
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	6.11	6.11	770.0	1
Cyclooxygenase CHEMBL2094253	IC50	4.66	4.66	22000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	460.0	nM	6.34	In vitro inhibition of 5-lipoxygenase from RBL-1 cells	3172130
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	770.0	nM	6.11	In vitro inhibition of 5-lipoxygenase from human polymorphs	3346867
Cyclooxygenase	IC50	=	22000.0	nM	4.66	In vitro inhibition of Prostaglandin G/H synthase from human polymorphs	3346867

PubMed	DOI	Target Context	# Activities
3346867	10.1021/jm00398a001	Polyunsaturated fatty acid 5-lipoxygenase	1
3346867	10.1021/jm00398a001	Cyclooxygenase	1
3172130	10.1021/jm00118a016	Polyunsaturated fatty acid 5-lipoxygenase	1
3172130	10.1021/jm00118a016	Unchecked	1
3172130	10.1021/jm00118a016	Rattus norvegicus	1

Data from ChEMBL 36 via Core Engine