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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL207197
CHEMBL207197
Compound Name OLCEGEPANT
ChEMBL Synonyms OLCEGEPANT | BIBN-4096BS
Max Phase 2
Trade Names
Molecular Formula C38H47Br2N9O5

Additional synonyms for CHEMBL207197 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N2CCC(CC2 ...
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Standard InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33( ...
Download InChI
Standard InChI Key ITIXDWVDFFXNEG-JHOUSYSJSA-N

Sources

  • Clinical Candidates
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL207197

Molecule Features

CHEMBL207197 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Calcitonin gene-related peptide type 1 receptor antagonist Calcitonin gene-related peptide type 1 receptor PubMed PubMed

Clinical Data

ClinicalTrials.gov OLCEGEPANT
The Cochrane Collaboration OLCEGEPANT

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
869.7 867.2067 4.41 12 176.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 1 14 6 3


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.8 10.73 3.25 -.32 3 54 0.17

Structural Alerts

There are 5 structural alerts for CHEMBL207197. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ITIXDWVDFFXNEG-JHOUSYSJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL207197



ACToR 204697-65-4
BindingDB 50184069
DrugBank DB04869
EPA CompTox Dashboard DTXSID10174443
FDA SRS WOA5J8TX6M
Guide to Pharmacology 702
IBM Patent System 06D45F8EF18EC13CD884843729E92259
MolPort MolPort-023-277-207
Nikkaji J1.371.735D
PDBe 3N6
PubChem 6918509
PubChem: Drugs of the Future 12015401
PubChem: Thomson Pharma 14865271 14889589
SureChEMBL SCHEMBL2252127
ZINC ZINC000098052868

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ITIXDWVDFFXNEG-JHOUSYSJSA-N spacer
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