MK3207

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 5C44M1QYCC

Structure
InChI Key AZAANWYREOQRFB-SETSBSEESA-N
Smile O=C(CN1C(=O)C2(CCCC2)NC[C@H]1c1cc(F)cc(F)c1)Nc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21
InChI
InChI=1S/C31H29F2N5O3/c32-21-10-19(11-22(33)13-21)25-16-35-31(7-1-2-8-31)29(41)38(25)17-26(39)36-23-6-5-18-14-30(15-20(18)12-23)24-4-3-9-34-27(24)37-28(30)40/h3-6,9-13,25,35H,1-2,7-8,14-17H2,(H,36,39)(H,34,37,40)/t25-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H29F2N5O3
Molecular Weight 557.6
AlogP 3.77
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 103.43
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 41.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Calcitonin gene-related peptide type 1 receptor antagonist 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 -
Other membrane protein
- - - 0 -
Secreted protein
- 0 - 0 -

Indications

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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1910936
DrugBank DB12424
EPA CompTox DTXSID00241931
FDA SRS 5C44M1QYCC
SureChEMBL SCHEMBL992191
ZINC ZINC000043203371
CONTENTS