Compound Detail

CHEMBL203135

BERBERRUBINE

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COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL203135
Name	BERBERRUBINE
Phase	Preclinical
Structure Type	MOL
InChI Key	GLYPKDKODVRYGP-UHFFFAOYSA-O

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

322.3

MW (Da)

2.79

ALogP

HBA

HBD

51.8

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

PubMed	DOI	Target Context	# Activities
11055412	10.1271/bbb.64.1998	Parastagonospora nodorum	2
11055412	10.1271/bbb.64.1998	Phytophthora infestans	2
22425568	10.1016/j.bmcl.2012.02.038	ADMET	2
22425568	10.1016/j.bmcl.2012.02.038	Toxoplasma gondii	1
39276584	10.1016/j.ejmech.2024.116852	Tryptophan 2,3-dioxygenase	1
11055412	10.1271/bbb.64.1998	Zymoseptoria tritici	1
11055412	10.1271/bbb.64.1998	Pyricularia oryzae	1
11055412	10.1271/bbb.64.1998	Rhizoctonia solani	1
11055412	10.1271/bbb.64.1998	Ustilago maydis	1
11055412	10.1271/bbb.64.1998	Agrostis stolonifera var. palustris	1
11055412	10.1271/bbb.64.1998	Lemna minor	1
16359864	10.1016/j.bmcl.2005.11.045	ATP-binding cassette sub-family C member 8	1
16730982	10.1016/j.bmcl.2006.05.033	Candida albicans	1
16730982	10.1016/j.bmcl.2006.05.033	Candida tropicalis	1
16730982	10.1016/j.bmcl.2006.05.033	Clavispora lusitaniae	1
16730982	10.1016/j.bmcl.2006.05.033	Pichia kudriavzevii	1
16730982	10.1016/j.bmcl.2006.05.033	Aspergillus fumigatus	1
16730982	10.1016/j.bmcl.2006.05.033	Aspergillus terreus	1
16730982	10.1016/j.bmcl.2006.05.033	Cryptococcus neoformans	1
16359864	10.1016/j.bmcl.2005.11.045	Sulfonylurea receptor 1, Kir6.2	1

Data from ChEMBL 36 via Core Engine