LDN-214117

Ligand id: 8481

Name: LDN-214117

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 55.85
Molecular weight 419.22
XLogP 3.5
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-[6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]piperazine
Synonyms
compound 10 [PMID: 25101911]
Database Links
PubChem CID 91754554
Search Google for chemical match using the InChIKey BHUXVRVMMYAXKN-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey BHUXVRVMMYAXKN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BHUXVRVMMYAXKN
Comments
LDN-214117 is an experimental activin A receptor, type I (ACVR1 aka BMP type I receptor kinase ALK2) inhibitor [2]. LDN-214117 may provide a structural template for the preclinical development of novel therapeutics for conditions such as fibrodysplasia ossificans progressiva (FOP), characterised by inappropriate BMP signalling, and reported to be caused by gain-of-function ALK2 mutations [1,3-5].