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
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.
Database Links
GtoPdb PubChem SID 328083454
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)

Product suppliers

Tocris
Harmine
Cat. No. 5075