Molecule Details
InChIKeyVFLDPWHFBUODDF-FCXRPNKRSA-N
Compound NameCurcumin
Canonical SMILESCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)25
Pfam Stratification Cross-Family
Avg pChEMBL6.7
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB11672
Drug NameCurcumin
CAS Number458-37-7
Groups approved investigational
ATC Codes nan
DescriptionCurcumin, also known as diferuloylmethane, is an active component in the golden spice turmeric (Curcuma longa) and in [Curcuma xanthorrhiza oil]. It is a highly pleiotropic molecule that exhibits antibacterial, anti-inflammatory, hypoglycemic, antioxidant, wound-healing, and antimicrobial activities...
Categories: Alkanes Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Antineoplastic Agents Antirheumatic Agents Benzene Derivatives Catechols Coloring Agents Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (moderate) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strong) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors (strong) Cytochrome P-450 Enzyme Inhibitors Diarylheptanoids Enzyme Inhibitors Heptanes Hydrocarbons, Acyclic P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Phenols Sensory System Agents
Cross-references: BindingDB: 50140172 ChEBI: 3962 CHEMBL140 ChemSpider: 839564 PDB: CC9 PubChem:969516 PubChem:347828040 RxCUI: 2955 Wikipedia: Curcumin ZINC: ZINC000000899824
Target Activities (25)
Target Gene Organism Category Pfam pChEMBL Type Source
Q04760 GLO1 Homo sapiens Human PF00903 8.3 Ki ChEMBL;BindingDB
Q92630 DYRK2 Homo sapiens Human PF00069 8.3 IC50 ChEMBL
P01100 FOS Homo sapiens Human PF00170 8.2 IC50 ChEMBL
P05412 JUN Homo sapiens Human PF00170 PF03957 8.2 IC50 ChEMBL
P13726 F3 Homo sapiens Human PF09294 PF01108 7.3 IC50 ChEMBL;BindingDB
Q9NZ45 CISD1 Homo sapiens Human PF10660 PF09360 7.0 Ki ChEMBL;BindingDB
Q9Y463 DYRK1B Homo sapiens Human PF00069 6.8 IC50 ChEMBL
O14684 PTGES Homo sapiens Human PF01124 6.6 IC50 ChEMBL;BindingDB
Q13627 DYRK1A Homo sapiens Human PF00069 6.5 IC50 ChEMBL
P37840 SNCA Homo sapiens Human PF01387 6.5 IC50 ChEMBL;BindingDB
P00918 CA2 Homo sapiens Human PF00194 6.4 Ki ChEMBL
O15379 HDAC3 Homo sapiens Human PF00850 6.3 Ki ChEMBL
P56524 HDAC4 Homo sapiens Human PF12203 PF00850 6.3 Ki ChEMBL
Q13547 HDAC1 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q8WUI4 HDAC7 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q92769 HDAC2 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q969S8 HDAC10 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q96DB2 HDAC11 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q9BY41 HDAC8 Homo sapiens Human PF00850 6.3 Ki ChEMBL
Q9UBN7 HDAC6 Homo sapiens Human PF00850 PF02148 6.3 Ki ChEMBL
Q9UKV0 HDAC9 Homo sapiens Human PF12203 PF00850 6.3 Ki ChEMBL
Q9UQL6 HDAC5 Homo sapiens Human PF12203 PF00850 6.3 Ki ChEMBL
P09917 ALOX5 Homo sapiens Human PF00305 PF01477 6.2 IC50 ChEMBL
P21397 MAOA Homo sapiens Human PF01593 6.2 Ki ChEMBL;BindingDB
P05067 APP Homo sapiens Human PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 6.1 IC50 ChEMBL;BindingDB
DrugBank Target Actions (30)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P08263 GSTA1 Glutathione S-transferase A1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P09211 GSTP1 Glutathione S-transferase P inhibitor enzymes
P09488 P09488 Glutathione S-transferase Mu 1 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
O15440 O15440 ATP-binding cassette sub-family C member 5 inhibitor targets
O43570 CA12 Carbonic anhydrase 12 inhibitor targets
P00915 CA1 Carbonic anhydrase 1 inhibitor targets
P00918 CA2 Carbonic anhydrase 2 inhibitor targets
P05067 APP Amyloid-beta precursor protein inhibitor targets
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor targets
P09211 GSTP1 Glutathione S-transferase P inhibitor targets
P14780 MMP9 Matrix metalloproteinase-9 inhibitor targets
P16152 CBR1 Carbonyl reductase [NADPH] 1 inhibitor targets
P22748 CA4 Carbonic anhydrase 4 inhibitor targets
P23219 PTGS1 Prostaglandin G/H synthase 1 inhibitor targets
P23280 CA6 Carbonic anhydrase 6 inhibitor targets
P35228 NOS2 Nitric oxide synthase, inducible inhibitor targets
P35354 PTGS2 Prostaglandin G/H synthase 2 inhibitor targets
P45452 MMP13 Collagenase 3 inhibitor targets
P47989 XDH Xanthine dehydrogenase/oxidase inhibitor targets
Q16790 CA9 Carbonic anhydrase 9 inhibitor targets
Q9UBC3 DNMT3B DNA (cytosine-5)-methyltransferase 3B inhibitor targets
Q9ULX7 CA14 Carbonic anhydrase 14 inhibitor targets
P11473 VDR Vitamin D3 receptor modulator targets
P37231 PPARG Peroxisome proliferator-activated receptor gamma modulator targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters