General Information of Drug (ID: DMEM2SW)

Drug Name
CYCLOPAMINE Drug Info
Synonyms
CYCLOPAMINE; 11-Deoxojervine; 4449-51-8; UNII-ZH658AJ192; CHEMBL254129; CHEBI:4021; 11-Deoxyjervine; ZH658AJ192; HSDB 3505; Jervine, 11-deoxo-; Spiro[9H-benzo[a]fluorene-9,2'(3'H)-furo[3,2-b]pyridin]-3-ol, 1,2,3,3'a,4,4',5',6,6',6a,6b,7,7',7'a,8,11,11a,11b-octadecahydro-3',6',10,11b-tetramethyl-, (2'R,3S,3'R,3'aS,6'S,6aS,6bS,7'aR,11aS,11bR)- (9CI); (3beta,22S,23R)-17,23-epoxyveratraman-3-ol; Veratraman-3-ol, 17,23-epoxy-, (3beta,23beta)-; CY8; [3H]-Cyclopamine; AC1L9DRQ; DSSTox_CID_23709; DSSTox_RID_80067; SCHEMBL29153
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
442972
ChEBI ID
CHEMBL254129
CAS Number
CAS 4449-51-8
TTD Drug ID
DMEM2SW

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Approved Drug(s)
Clinical Trial Drug(s)
Patented Agent(s)
Investigative Drug(s)
Drug(s) Targeting Smoothened homolog (SMO)
Drug Name Drug ID Indication ICD 11 Highest Status REF
PF-04449913 DMSB068 Chronic myelomonocytic leukaemia 2A40 Approved [5]
Vismodegib DM5IXKQ Basal cell carcinoma 2C32 Approved [6]
LDE225 DMM9F25 Basal cell carcinoma 2C32 Phase 2 [7]
LY2940680 DMTJWIQ Solid tumour/cancer 2A00-2F9Z Phase 1/2 [5]
BMS-833923 DM459Q7 Solid tumour/cancer 2A00-2F9Z Phase 1b [8]
LEQ-506 DM5INZP Solid tumour/cancer 2A00-2F9Z Phase 1 [9]
TAK-441 DM7DFBL Solid tumour/cancer 2A00-2F9Z Phase 1 [10]
PMID25726713-Compound-49 DM2CT4G N. A. N. A. Patented [11]
PMID25726713-Compound-51 DMF0OW4 N. A. N. A. Patented [11]
PMID25726713-Compound-48 DMSIOUA N. A. N. A. Patented [11]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [12]
Bosentan DMIOGBU Pulmonary arterial hypertension BB01.0 Approved [13]
Valsartan DMREUQ6 Chronic heart failure BD1Z Approved [14]
Benzo(a)pyrene DMN7J43 N. A. N. A. Phase 1 [15]
bisphenol A DM2ZLD7 Discovery agent N.A. Investigative [16]
Drug Name Drug ID Indication ICD 11 Highest Status REF
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [17]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [18]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [19]
Propranolol DM79NTF Angina pectoris BA40 Approved [20]
Testosterone DM7HUNW Hot flushes GA30 Approved [21]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [12]
Enzalutamide DMGL19D Prostate cancer 2C82.0 Approved [22]
Niclosamide DMJAGXQ Cestodes infection 1F70-1F76 Approved [23]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [24]
Mebendazole DMO14SG Ascariasis 1F62 Approved [25]
⏷ Show the Full List of 10 Drug(s)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [26]
Quercetin DM3NC4M Obesity 5B81 Approved [27]
Vismodegib DM5IXKQ Basal cell carcinoma 2C32 Approved [28]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [29]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [30]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [31]
Ethanol DMDRQZU Chronic pain MG30 Approved [32]
Azathioprine DMMZSXQ Lupus nephritis 4A40.0Y Approved [33]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [34]
Gemcitabine DMSE3I7 Anterior urethra cancer Approved [35]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Protein smoothened (SMO)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [36]
Quercetin DM3NC4M Obesity 5B81 Approved [37]
Vismodegib DM5IXKQ Basal cell carcinoma 2C32 Approved [28]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [38]
Leflunomide DMR8ONJ Arthritis FA20 Approved [39]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [12]
Temozolomide DMKECZD Adenocarcinoma 2D40 Approved [24]
Dexamethasone DMMWZET Acute adrenal insufficiency Approved [40]
Cupric Sulfate DMP0NFQ Fungal infection 1F29-1F2F Approved [41]
Cisplatin DMRHGI9 Adenocarcinoma 2D40 Approved [34]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Resistin-like beta (RETNLB)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Folic Acid DMEMBJC Colorectal carcinoma Approved [42]
Benzo(a)pyrene DMN7J43 N. A. N. A. Phase 1 [43]

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Smoothened homolog (SMO) TT8J1S3 SMO_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Macrophage mannose receptor 1 (MRC1) OTTVCOPT MRC1_HUMAN Gene/Protein Processing [2]
Neurogenic locus notch homolog protein 1 (NOTCH1) OTI1WADQ NOTC1_HUMAN Protein Interaction/Cellular Processes [3]
Protein patched homolog 1 (PTCH1) OTMG07H5 PTC1_HUMAN Gene/Protein Processing [4]
Protein smoothened (SMO) OTXXE208 SMO_HUMAN Gene/Protein Processing [4]
Resistin-like beta (RETNLB) OT9JJQQQ RETNB_HUMAN Gene/Protein Processing [2]

References

1 Identification and structure-activity relationships of ortho-biphenyl carboxamides as potent Smoothened antagonists inhibiting the Hedgehog signali... Bioorg Med Chem Lett. 2009 Jan 15;19(2):328-31.
2 M2 macrophage-derived IL6 mediates resistance of breast cancer cells to hedgehog inhibition. Toxicol Appl Pharmacol. 2019 Feb 1;364:77-82. doi: 10.1016/j.taap.2018.12.013. Epub 2018 Dec 19.
3 Effects of combination of notch inhibitor plus hedgehog inhibitor or Wnt inhibitor on growth of leukemia cells. Anticancer Res. 2011 Mar;31(3):893-6.
4 Mono-2-ethyhexyl phthalate advancing the progression of prostate cancer through activating the hedgehog pathway in LNCaP cells. Toxicol In Vitro. 2016 Apr;32:86-91. doi: 10.1016/j.tiv.2015.12.012. Epub 2015 Dec 19.
5 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
6 Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
7 Inhibition of Hedgehog signalling by NVP-LDE225 (Erismodegib) interferes with growth and invasion of human renal cell carcinoma cells. Br J Cancer. 2014 Sep 9;111(6):1168-79.
8 Clinical pipeline report, company report or official report of Exelixis (2011).
9 Discovery of NVP-LEQ506, a second-generation inhibitor of smoothened. ChemMedChem. 2013 Aug;8(8):1261-5.
10 TAK-441, a novel investigational smoothened antagonist, delays castration-resistant progression in prostate cancer by disrupting paracrine hedgehog signaling. Int J Cancer. 2013 Oct 15;133(8):1955-66.
11 Hedgehog inhibitors: a patent review (2013 - present).Expert Opin Ther Pat. 2015 May;25(5):549-65.
12 Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.
13 Omics-based responses induced by bosentan in human hepatoma HepaRG cell cultures. Arch Toxicol. 2018 Jun;92(6):1939-1952.
14 Valsartan improves adipose tissue function in humans with impaired glucose metabolism: a randomized placebo-controlled double-blind trial. PLoS One. 2012;7(6):e39930. doi: 10.1371/journal.pone.0039930. Epub 2012 Jun 29.
15 Transcriptional signature of human macrophages exposed to the environmental contaminant benzo(a)pyrene. Toxicol Sci. 2010 Apr;114(2):247-59.
16 Environmental pollutant induced cellular injury is reflected in exosomes from placental explants. Placenta. 2020 Jan 1;89:42-49. doi: 10.1016/j.placenta.2019.10.008. Epub 2019 Oct 17.
17 Quercetin attenuates cell apoptosis of oxidant-stressed SK-N-MC cells while suppressing up-regulation of the defensive element, HIF-1alpha. Neuroscience. 2014 Sep 26;277:780-93.
18 Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
19 Arsenic trioxide inhibits cell growth and induces apoptosis through inactivation of notch signaling pathway in breast cancer. Int J Mol Sci. 2012;13(8):9627-9641. doi: 10.3390/ijms13089627. Epub 2012 Aug 2.
20 Propranolol inhibits proliferation and invasion of hemangioma-derived endothelial cells by suppressing the DLL4/Notch1/Akt pathway. Chem Biol Interact. 2018 Oct 1;294:28-33. doi: 10.1016/j.cbi.2018.08.018. Epub 2018 Aug 18.
21 The exosome-like vesicles derived from androgen exposed-prostate stromal cells promote epithelial cells proliferation and epithelial-mesenchymal transition. Toxicol Appl Pharmacol. 2021 Jan 15;411:115384. doi: 10.1016/j.taap.2020.115384. Epub 2020 Dec 25.
22 NOTCH signaling is activated in and contributes to resistance in enzalutamide-resistant prostate cancer cells. J Biol Chem. 2019 May 24;294(21):8543-8554. doi: 10.1074/jbc.RA118.006983. Epub 2019 Apr 2.
23 The autonomous notch signal pathway is activated by baicalin and baicalein but is suppressed by niclosamide in K562 cells. J Cell Biochem. 2009 Mar 1;106(4):682-92. doi: 10.1002/jcb.22065.
24 Temozolomide induces activation of Wnt/-catenin signaling in glioma cells via PI3K/Akt pathway: implications in glioma therapy. Cell Biol Toxicol. 2020 Jun;36(3):273-278. doi: 10.1007/s10565-019-09502-7. Epub 2019 Nov 22.
25 Mebendazole is a potent inhibitor to chemoresistant T cell acute lymphoblastic leukemia cells. Toxicol Appl Pharmacol. 2020 Jun 1;396:115001. doi: 10.1016/j.taap.2020.115001. Epub 2020 Apr 8.
26 Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
27 Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
28 Hedgehog signaling antagonist GDC-0449 (Vismodegib) inhibits pancreatic cancer stem cell characteristics: molecular mechanisms. PLoS One. 2011;6(11):e27306. doi: 10.1371/journal.pone.0027306. Epub 2011 Nov 8.
29 Arsenic trioxide prevents osteosarcoma growth by inhibition of GLI transcription via DNA damage accumulation. PLoS One. 2013 Jul 8;8(7):e69466. doi: 10.1371/journal.pone.0069466. Print 2013.
30 THC exposure of human iPSC neurons impacts genes associated with neuropsychiatric disorders. Transl Psychiatry. 2018 Apr 25;8(1):89. doi: 10.1038/s41398-018-0137-3.
31 Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
32 Chronic ethanol exposure increases goosecoid (GSC) expression in human embryonic carcinoma cell differentiation. J Appl Toxicol. 2014 Jan;34(1):66-75.
33 PTCH mutations in basal cell carcinomas from azathioprine-treated organ transplant recipients. Br J Cancer. 2008 Oct 21;99(8):1276-84. doi: 10.1038/sj.bjc.6604665.
34 Activation of AIFM2 enhances apoptosis of human lung cancer cells undergoing toxicological stress. Toxicol Lett. 2016 Sep 6;258:227-236.
35 A fine-needle aspirate-based vulnerability assay identifies polo-like kinase 1 as a mediator of gemcitabine resistance in pancreatic cancer. Mol Cancer Ther. 2010 Feb;9(2):311-8. doi: 10.1158/1535-7163.MCT-09-0693. Epub 2010 Jan 26.
36 Cannabidiol enhances cytotoxicity of anti-cancer drugs in human head and neck squamous cell carcinoma. Sci Rep. 2020 Nov 26;10(1):20622. doi: 10.1038/s41598-020-77674-y.
37 Quercetin suppresses pancreatic ductal adenocarcinoma progression via inhibition of SHH and TGF-/Smad signaling pathways. Cell Biol Toxicol. 2021 Jun;37(3):479-496. doi: 10.1007/s10565-020-09562-0. Epub 2020 Oct 17.
38 Identification of recurrent SMO and BRAF mutations in ameloblastomas. Nat Genet. 2014 Jul;46(7):722-5. doi: 10.1038/ng.2986. Epub 2014 May 25.
39 Endoplasmic reticulum stress and MAPK signaling pathway activation underlie leflunomide-induced toxicity in HepG2 Cells. Toxicology. 2017 Dec 1;392:11-21.
40 Identification of mechanisms of action of bisphenol a-induced human preadipocyte differentiation by transcriptional profiling. Obesity (Silver Spring). 2014 Nov;22(11):2333-43.
41 Physiological and toxicological transcriptome changes in HepG2 cells exposed to copper. Physiol Genomics. 2009 Aug 7;38(3):386-401.
42 Folic acid supplementation dysregulates gene expression in lymphoblastoid cells--implications in nutrition. Biochem Biophys Res Commun. 2011 Sep 9;412(4):688-92. doi: 10.1016/j.bbrc.2011.08.027. Epub 2011 Aug 16.
43 Air pollution and DNA methylation alterations in lung cancer: A systematic and comparative study. Oncotarget. 2017 Jan 3;8(1):1369-1391. doi: 10.18632/oncotarget.13622.