NLZUEZXRPGMBCV-UHFFFAOYSA-N

Molecule Details

InChIKey	`NLZUEZXRPGMBCV-UHFFFAOYSA-N`
Canonical SMILES	`Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	2
Pfam Stratification	Cross-Family
Avg pChEMBL	6.56
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

DrugBank Annotations

DrugBank ID	DB16863
Drug Name	Butylated hydroxytoluene
CAS Number	128-37-0
Groups	investigational
ATC Codes	nan
Description	nan

Categories: Antioxidants Benzene Derivatives Biological Factors Compounds used in a research, industrial, or household setting Cresols Phenols Protective Agents

Cross-references: BindingDB: 50079507 ChEBI: 34247 CHEMBL146 ChemSpider: 13835296 C14693 PDB: 3IM RxCUI: 1848 Wikipedia: Butylated_hydroxytoluene ZINC: ZINC000001481993

Target Activities (2)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P14679	TYR	Homo sapiens	Human	PF00264	6.9	IC50	ChEMBL
P00918	CA2	Homo sapiens	Human	PF00194	6.2	Ki	ChEMBL;BindingDB

DrugBank Target Actions (1)

Target	Gene	Target Name	Action	Type
P00918	CA2	Carbonic anhydrase 2	inhibitor	targets