Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09BNZ
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| Former ID |
DNCL002122
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| Drug Name |
LDE225
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| Synonyms |
Erismodegib
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| Drug Type |
Small molecular drug
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| Indication | Medulloblastoma [ICD-11: 2A00.10; ICD-10: C71.6; ICD-9: 191] | Phase 2 | [1], [2], [3] | |
| Skin cancer [ICD-11: 2C30-2C37] | Phase 2 | [4], [5] | ||
| Company |
Novartis Pharmaceuticals
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| Structure |
 |
Download2D MOL |
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| Formula |
C26H26F3N3O3
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| Canonical SMILES |
CC1CN(CC(O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F
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| InChI |
1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
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| InChIKey |
VZZJRYRQSPEMTK-CALCHBBNSA-N
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| CAS Number |
CAS 956697-53-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
49697167, 102979944, 104253483, 119755177, 124757613, 125164417, 135268322, 135626837, 136340335, 136348729, 136367584, 137275883, 137774706, 143499576, 144116302, 152133960, 152234907, 152258165, 152344226, 160647002, 160708744, 162011425, 162037786, 162202743, 163343586, 163621034, 163893980, 164841037, 172919170, 177748924, 184816788, 187071939, 198968789, 198992723, 223705221, 225140318, 226862705, 242060136, 245734390, 246463133, 249565879, 252160304, 252215679
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| ChEBI ID |
CHEBI:90863
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| ADReCS Drug ID | BADD_D02057 ; BADD_D02472 | |||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Smoothened homolog (SMO) | Target Info | Modulator | [6] |
| 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 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 2 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 3 | Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA) | |||
| REF 4 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8199). | |||
| REF 5 | ClinicalTrials.gov (NCT02002689) LDE225 for Patients With PTCH1 or SMO Mutated Tumors. U.S. National Institutes of Health. | |||
| REF 6 | 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. | |||
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