OLCEGEPANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: WOA5J8TX6M

Structure
InChI Key ITIXDWVDFFXNEG-JHOUSYSJSA-N
Smile 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
InChI
InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C38H47Br2N9O5
Molecular Weight 869.66
AlogP 4.41
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 176.47
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 54.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Calcitonin gene-related peptide type 1 receptor antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Calcitonin-like receptor Calcitonin gene-related peptide receptor
0 0-4 0-0 0-0 -
Other membrane protein
- 0-0 - 0-0 -
Secreted protein
- - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 2 D008881 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL207197
DrugBank DB04869
EPA CompTox DTXSID10174443
FDA SRS WOA5J8TX6M
Guide to Pharmacology 702
PDB 3N6
PubChem 6918509
SureChEMBL SCHEMBL2252127
ZINC ZINC000098052868
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