RIMEGEPANT

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 997WVV895X

Structure
InChI Key KRNAOFGYEFKHPB-ANJVHQHFSA-N
Smile N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F
InChI
InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H28F2N6O3
Molecular Weight 534.57
AlogP 4.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 119.13
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Calcitonin gene-related peptide type 1 receptor antagonist PubMed
Primary Target
CGRP receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 17000-17000 - - -
Membrane receptor Family B G protein-coupled receptor Peptide receptor (family B GPCR) Calcitonin-like receptor Calcitonin gene-related peptide receptor
0 - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 3 D008881 ClinicalTrials
Trigeminal Neuralgia 2 D014277 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1289023-67-1
ChEMBL CHEMBL2178422
DrugBank DB12457
DrugCentral 5381
EPA CompTox DTXSID70156003
FDA SRS 997WVV895X
Guide to Pharmacology 10704
PubChem 51049968
SureChEMBL SCHEMBL1670580
ZINC ZINC000068267814
CONTENTS