opaganib

Ligand id: 6624

Name: opaganib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 41.99
Molecular weight 380.17
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
International Nonproprietary Names
INN number INN
10561 opaganib
Synonyms
ABC 294640 | ABC-294640 | Yeliva®
Comments
ABC294640 (INN opaganib) is an orally bioavailable sphingosine kinase 2-selective inhibitor that is being investigated for clinical antiproliferative efficacy in various cancers. It is being developed by RedHill Bio. In 2017 the FDA granted this compound orphan designation for the treatment of cholangiocarcinoma.
Database Links
CAS Registry No. 915385-81-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL2158685
GtoPdb PubChem SID 178103237
PubChem CID 15604015
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