Compound Detail

CHEMBL74469

PARAQUAT

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C[n+]1ccc(-c2cc[n+](C)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL74469
Name	PARAQUAT
Phase	Preclinical
Structure Type	MOL
InChI Key	INFDPOAKFNIJBF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

186.3

MW (Da)

1.00

ALogP

HBA

HBD

7.8

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

PubMed	DOI	Target Context	# Activities
-	10.1016/j.cropro.2006.04.025	Prosopis farcta	8
-	10.1039/C3MD00149K	NON-PROTEIN TARGET	4
17606680	10.1128/aac.01481-06	Escherichia coli	4
2374149	10.1021/jm00170a029	Sodium-dependent dopamine transporter	2
-	10.1016/j.cropro.2005.09.008	Chenopodiastrum murale	2
-	10.1016/j.cropro.2005.09.008	Malva sylvestris	2
17606680	10.1128/aac.01481-06	Klebsiella aerogenes	2
15853381	10.1021/jf047883o	Echinochloa crus-galli	2
-	10.1016/j.cropro.2005.09.008	Cyperus rotundus	2
15853381	10.1021/jf047883o	Photosystem I iron-sulfur center	1
-	10.1039/C3MD00149K	No relevant target	1
10983278	10.1016/s0014-827x(00)00033-1	Parthenium hysterophorus	1
-	10.1007/s00044-013-0575-7	Lemna aequinoctialis	1
-	10.1016/j.cropro.2005.09.008	Allium cepa	1
-	10.1007/s00044-011-9745-7	Lemna aequinoctialis	1
20020916	10.1080/15376510701857262	Phospholipidosis	1
20843939	10.1124/dmd.110.035113	Hepatotoxicity	1
20553011	10.1021/tx1000865	Hepatotoxicity	1
20799726	10.1021/mp100103e	Phospholipidosis	1
17428028	10.1021/ci6004542	Phospholipidosis	1

Data from ChEMBL 36 via Core Engine