Drug Information

Drug General Information
Drug ID
D0I9XH
Former ID
DPR000028
Drug Name
Celastrol
Synonyms
Tripterin; Tripterine; Celastrol, Celastrus scandens; (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid; (2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydropicene-2-carboxylic acid; 3-Hydroxy-24-nor-2-oxo-1(10),3,5,7-friedelatetraen-29-oic Acid
Drug Type
Small molecular drug
Indication Motor neurone disease; Amyotropic lateral sclerosis [ICD9: 335.2; ICD10:G12.2] Preclinical [536447]
Company
Schering-Plough
Structure
Download
2D MOL

3D MOL
Formula
C29H38O4
Canonical SMILES
CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O<br />)O)C)C)C)C)O
InChI
1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1
InChIKey
KQJSQWZMSAGSHN-JJWQIEBTSA-N
CAS Number
CAS 34157-83-0
PubChem Compound ID
122724
PubChem Substance ID
114102, 8138360, 10240199, 11335893, 11361132, 11363229, 11365791, 11368353, 11371505, 11375571, 11376515, 11442922, 11462104, 11483996, 11487966, 11490049, 11493780, 11494149, 14833303, 14881993, 26613093, 26680784, 26758439, 29303051, 47348965, 47499119, 48317970, 50058386, 50123609, 50495667, 53788029, 56312614, 56313783, 56314078, 57288538, 57288540, 57340168, 91010593, 92124892, 92310323, 92722515, 99437076, 103068159, 103079891, 103242969, 104416517, 117623341, 119501506, 124637741, 124757146
Target and Pathway
Target(s) Interleukin-1 beta Target Info Suppressor [536447]
Tumor necrosis factor Target Info Suppressor [536447]
KEGG Pathway MAPK signaling pathway
Cytokine-cytokine receptor interaction
NF-kappa B signaling pathway
Apoptosis
Osteoclast differentiation
Toll-like receptor signaling pathway
NOD-like receptor signaling pathway
Cytosolic DNA-sensing pathway
Hematopoietic cell lineage
TNF signaling pathway
Inflammatory mediator regulation of TRP channels
Non-alcoholic fatty liver disease (NAFLD)
Type I diabetes mellitus
Alzheimer's disease
Prion diseases
Salmonella infection
Pertussis
Legionellosis
Leishmaniasis
Chagas disease (American trypanosomiasis)
African trypanosomiasis
Malaria
Amoebiasis
Tuberculosis
Measles
Influenza A
Herpes simplex infection
Inflammatory bowel disease (IBD)
Rheumatoid arthritis
Graft-versus-host diseasehsa04010:MAPK signaling pathway
Sphingolipid signaling pathway
mTOR signaling pathway
TGF-beta signaling pathway
Antigen processing and presentation
RIG-I-like receptor signaling pathway
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
Fc epsilon RI signaling pathway
Adipocytokine signaling pathway
Type II diabetes mellitus
Amyotrophic lateral sclerosis (ALS)
Toxoplasmosis
Hepatitis C
Hepatitis B
HTLV-I infection
Proteoglycans in cancer
Asthma
Systemic lupus erythematosus
Allograft rejection
Graft-versus-host disease
Hypertrophic cardiomyopathy (HCM)
Dilated cardiomyopathy
NetPath Pathway Leptin Signaling Pathway
IL5 Signaling Pathway
IL1 Signaling Pathway
IL2 Signaling Pathway
IL3 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Wnt Signaling Pathway
TCR Signaling Pathway
TNFalpha Signaling PathwayNetPath_11:TCR Signaling Pathway
IL4 Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Apoptosis signaling pathway
Wnt signaling pathway
Pathway Interaction Database IL27-mediated signaling events
IL12-mediated signaling events
IL1-mediated signaling events
IFN-gamma pathway
IL23-mediated signaling events
Cellular roles of Anthrax toxinil27pathway:IL27-mediated signaling events
Canonical NF-kappaB pathway
Calcineurin-regulated NFAT-dependent transcription in lymphocytes
Angiopoietin receptor Tie2-mediated signaling
Signaling events mediated by HDAC Class I
TNF receptor signaling pathway
Ceramide signaling pathway
amb2 Integrin signaling
RXR and RAR heterodimerization with other nuclear receptor
HIV-1 Nef: Negative effector of Fas and TNF-alpha
Caspase Cascade in Apoptosis
Cellular roles of Anthrax toxin
Downstream signaling in na&#xef
PathWhiz Pathway Fc Epsilon Receptor I Signaling in Mast Cells
Reactome Interleukin-1 signaling
Interleukin-1 processing
CLEC7A/inflammasome pathwayR-HSA-381340:Transcriptional regulation of white adipocyte differentiation
TNFR1-induced proapoptotic signaling
Regulation of TNFR1 signaling
TNFR1-induced NFkappaB signaling pathway
TNFR1-mediated ceramide production
TNFR2 non-canonical NF-kB pathway
TNF signaling
WikiPathways Toll-like receptor signaling pathway
Monoamine Transport
SIDS Susceptibility Pathways
TCR Signaling Pathway
Type II interferon signaling (IFNG)
Senescence and Autophagy in Cancer
Cytokines and Inflammatory Response
MAPK Signaling Pathway
Myometrial Relaxation and Contraction Pathways
Aryl Hydrocarbon Receptor Pathway
IL1 and megakaryotyces in obesity
Hematopoietic Stem Cell Differentiation
Spinal Cord Injury
Allograft Rejection
Alzheimers Disease
Leptin signaling pathway
IL-1 signaling pathway
Interleukin-1 signaling
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
Serotonin Transporter Activity
Regulation of toll-like receptor signaling pathway
NOD pathwayWP75:Toll-like receptor signaling pathway
TGF Beta Signaling Pathway
EV release from cardiac cells and their functional effects
FAS pathway and Stress induction of HSP regulation
Apoptosis-related network due to altered Notch3 in ovarian cancer
Cardiac Hypertrophic Response
Transcriptional Regulation of White Adipocyte Differentiation
Aryl Hydrocarbon Receptor
Apoptosis
Nanoparticle triggered regulated necrosis
Amyotrophic lateral sclerosis (ALS)
Adipogenesis
TNF alpha Signaling Pathway
TWEAK Signaling Pathway
Extrinsic Pathway for Apoptosis
MicroRNAs in cardiomyocyte hypertrophy
Matrix Metalloproteinases
References
Ref 536447Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.
Ref 536447Emerging disease-modifying therapies for the treatment of motor neuron disease/amyotropic lateral sclerosis. Expert Opin Emerg Drugs. 2007 May;12(2):229-52.

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