Compound Detail

CHEMBL271663

PIPERONAL

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O=Cc1ccc2c(c1)OCO2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL271663
Name	PIPERONAL
Phase	Preclinical
Structure Type	MOL
InChI Key	SATCULPHIDQDRE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

150.1

MW (Da)

1.23

ALogP

HBA

HBD

35.5

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas.

PubMed	DOI	Target Context	# Activities
19775895	10.1016/j.bmc.2009.08.050	Hepatocyte	7
19775895	10.1016/j.bmc.2009.08.050	Peritoneal macrophage cell	4
19775895	10.1016/j.bmc.2009.08.050	L929	4
18289853	10.1016/j.bmcl.2008.01.101	Hepatocyte	3
23379671	10.1021/jf305164m	Collagen	3
23379671	10.1021/jf305164m	Meloidogyne incognita	2
31097402	10.1016/j.bmc.2019.05.001	Sodium- and chloride-dependent GABA transporter 1	1
-	10.1007/s00044-013-0484-9	Enterobacter cloacae	1
-	10.1007/s00044-013-0484-9	Bacillus subtilis	1
-	10.1007/s00044-013-0484-9	Pseudomonas aeruginosa	1
-	10.1007/s00044-013-0484-9	Trichophyton rubrum	1
-	10.1007/s00044-013-0484-9	Aspergillus sydowii	1
-	10.1007/s00044-013-0484-9	Aspergillus parasiticus	1
-	10.1007/s00044-013-0484-9	Aspergillus niger	1
-	10.1007/s00044-013-0484-9	Pichia kudriavzevii	1
-	10.1007/s00044-013-0484-9	Micrococcus luteus	1
-	10.1007/s00044-013-0484-9	Candida albicans	1
-	10.1007/s00044-013-0484-9	Escherichia coli	1
-	10.1007/s00044-013-0484-9	Staphylococcus aureus	1
22461383	10.1002/ps.3280	GABA receptor subunit	1

Data from ChEMBL 36 via Core Engine