Compound Detail

CHEMBL1222498

PROPANIL

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CCC(=O)Nc1ccc(Cl)c(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1222498
Name	PROPANIL
Phase	Preclinical
Structure Type	MOL
InChI Key	LFULEKSKNZEWOE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

218.1

MW (Da)

3.34

ALogP

HBA

HBD

29.1

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 7 meas.

EC50 1 meas. best 5.11

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	EC50	5.11	5.11	7800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	EC50	=	7800.0	nM	5.11	Antiviral activity against JC polyomavirus M1/SVEdelta infected in human SVG-A c...	19258267

PubMed	DOI	Target Context	# Activities
20667728	10.1016/j.bmcl.2010.06.133	Trichomonas vaginalis	3
20667728	10.1016/j.bmcl.2010.06.133	ADMET	2
20739103	10.1016/j.ejmech.2010.07.050	Unchecked	2
20739103	10.1016/j.ejmech.2010.07.050	Saccharomyces cerevisiae	2
19258267	10.1128/aac.01614-08	ADMET	2
20628996	10.1002/ps.1992	Oryza sativa	2
19258267	10.1128/aac.01614-08	NON-PROTEIN TARGET	1
18922010	10.1021/jf802735m	Echinochloa crus-galli	1
20628996	10.1002/ps.1992	Unchecked	1
20628996	10.1002/ps.1992	Triticum aestivum	1
20628996	10.1002/ps.1992	Echinochloa crus-galli	1
19551813	10.1002/ps.1799	Unchecked	1
19551813	10.1002/ps.1799	Oryza sativa	1
19551813	10.1002/ps.1799	Echinochloa crus-galli	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B1	1
23571415	10.1124/mol.112.084152	Solute carrier organic anion transporter family member 1B3	1

Data from ChEMBL 36 via Core Engine