Molecule Details
| InChIKey | ITIXDWVDFFXNEG-JHOUSYSJSA-N |
|---|---|
| Compound Name | Olcegepant |
| Canonical SMILES | NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 10.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04869 |
|---|---|
| Drug Name | Olcegepant |
| CAS Number | 204697-65-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Boehringer Ingelheim Pharmaceuticals’ olcegepant (BIBN 4096) is a selective Calcitonin Gene-Related Peptide (CGRP) antagonist, a new class of drugs in development for the treatment of acute migraine attacks. Olcegepant is undergoing phase II trials in Europe and the US, with preliminary results sugg... |
Categories: Amino Acids, Peptides, and Proteins Analgesics Calcitonin Gene-Related Peptide Receptor Antagonists Calcitonin Gene-Related Peptide, analogs & derivatives Central Nervous System Agents Heterocyclic Compounds, Fused-Ring Oligopeptides Peptides Peripheral Nervous System Agents Receptors, Calcitonin Gene-Related Peptide, antagonists & inhibitors Sensory System Agents
Cross-references: BindingDB: 50184069 CHEMBL207197 ChemSpider: 5293706 PDB: 3N6 PubChem:6918509 PubChem:175426877 Wikipedia: Olcegepant ZINC: ZINC000098052868