harmine

Ligand id: 9352

Name: harmine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 37.91
Molecular weight 212.09
XLogP 2.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-Methoxy-1-methyl-9H-pyrido[3,4-b]indole
Database Links
PubChem CID 5280953
RCSB PDB Ligand HRM
Search Google for chemical match using the InChIKey BXNJHAXVSOCGBA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BXNJHAXVSOCGBA
Search UniChem for chemical match using the InChIKey BXNJHAXVSOCGBA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BXNJHAXVSOCGBA
SynPHARM 83925 (in complex with dual specificity tyrosine phosphorylation regulated kinase 1A)
Comments
Harmine has been identified as an inhibitor of dual specificity tyrosine phosphorylation regulated kinases of the Dyrk1 subfamily [1-2]. Harmine is a a plant-derived β-carboline alkaloid.