rimacalib

Ligand id: 9364

Name: rimacalib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 76.88
Molecular weight 394.18
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N'-[3-[(1S)-1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]morpholine-4-carboximidamide
International Nonproprietary Names
INN number INN
8597 rimacalib
Synonyms
SMP-114
Database Links
CAS Registry No. 215174-50-8 (source: PubChem)
ChEMBL Ligand CHEMBL2107772
PubChem CID 9800765
Search Google for chemical match using the InChIKey MYTIJGWONQOOLC-HNNXBMFYSA-N
Search Google for chemicals with the same backbone MYTIJGWONQOOLC
Search PubMed clinical trials rimacalib
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Search UniChem for chemical match using the InChIKey MYTIJGWONQOOLC-HNNXBMFYSA-N
Search UniChem for chemicals with the same backbone MYTIJGWONQOOLC
Comments
Rimacalib (SMP-114) is an isoxazole derivative inhibitor of Ca2+/calmodulin-dependent protein kinase II (CaMKII) [2], CAMKII being an established pharmacological target for chronic inflammatory pain [1], as well as being involved in modulating synaptic plasticity and learning and memory processes.