beta-carboline

Ligand id: 8222

Name: beta-carboline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 28.68
Molecular weight 168.07
XLogP 2.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
9H-Pyrido[3,4-B]indole
Synonyms
carbazoline | norharmane
Database Links
CAS Registry No. 244-63-3
ChEBI CHEBI:109895
ChEMBL Ligand CHEMBL275224
GtoPdb PubChem SID 249565902
PubChem CID 64961
RCSB PDB Ligand NRH
Search Google for chemical match using the InChIKey AIFRHYZBTHREPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AIFRHYZBTHREPW
Search UniChem for chemical match using the InChIKey AIFRHYZBTHREPW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AIFRHYZBTHREPW
Wikipedia Beta-Carboline
Comments
β-carboline is a harmane type compound which acts as an inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1) [2].