TELCAGEPANT POTASSIUM

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: Salt
UNII: L303VER2NG
Parent Compound: TELCAGEPANT

Structure
InChI Key DYXNKCSVHJFUSS-LEVQAPRMSA-M
Smile CCO.O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(n2c([O-])nc3ncccc32)CC1.[K+]
InChI
InChI=1S/C26H27F5N6O3.C2H6O.K/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40;1-2-3;/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40);3H,2H2,1H3;/q;;+1/p-1/t15-,19-;;/m1../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H32F5KN6O4
Molecular Weight 650.69
AlogP 4.1
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 103.59
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 40.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 3 D008881 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL2105656
FDA SRS L303VER2NG
PubChem 46174140
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