Drug General Information
Drug ID
D06MUB
Former ID
DIB003695
Drug Name
SMOi2-17
Synonyms
SMOi2-20; SMO antagonist (lipidated peptide, cancer), NCI; Smoothened antagonist (lipidated peptide, cancer), NCI
Indication Cancer [ICD9: 140-229; ICD10:C00-C96] Investigative [543616]
Company
National Cancer Institute
Structure
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2D MOL

3D MOL

Canonical SMILES
N([C@@H](C(=O)O)CCCCNC(=O)CCCCCCCCCCCCCCC)C(=O)[C@H](NC<br />(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@<br />H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](N)CC<br />CCN)Cc1ccccc1)CO)[C@@H](O)C)Cc1c[nH]cn1)Cc1c[nH]c2c1ccc<br />c2)C)[C@@H](O)C)Cc1ccc(cc1)O)CC(C)C
Target and Pathway
Target(s) smoothened receptor Target Info Antagonist [543616]
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
Ref 543616(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. (Target id: 239).
Ref 543616(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. (Target id: 239).

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