Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05UKJ
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| Former ID |
DNC009664
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| Drug Name |
CYCLOPAMINE
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| 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
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C27H41NO2
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| Canonical SMILES |
CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1
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| InChI |
1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
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| InChIKey |
QASFUMOKHFSJGL-LAFRSMQTSA-N
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| CAS Number |
CAS 4449-51-8
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:4021
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Smoothened homolog (SMO) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Hedgehog signaling pathway | |||
| Pathways in cancer | ||||
| Proteoglycans in cancer | ||||
| Basal cell carcinoma | ||||
| Panther Pathway | Hedgehog signaling pathway | |||
| Pathway Interaction Database | Signaling events mediated by the Hedgehog family | |||
| Hedgehog signaling events mediated by Gli proteins | ||||
| Reactome | Class B/2 (Secretin family receptors) | |||
| Hedgehog 'off' state | ||||
| Activation of SMO | ||||
| WikiPathways | Hedgehog Signaling Pathway | |||
| Hair Follicle Development: Organogenesis (Part 2 of 3) | ||||
| Hair Follicle Development: Induction (Part 1 of 3) | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| GPCR ligand binding | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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. | |||
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