Ro5028442

Ligand id: 8529

Name: Ro5028442

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 36.02
Molecular weight 439.2
XLogP 3.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{2-[6-chloro-3-({3H-spiro[2-benzofuran-1,4'-piperidine]-1'-yl}carbonyl)-2,3-dihydro-1H-indol-1-yl]ethyl}dimethylamine
Synonyms
RG-7716 | RG7716 | Ro-5028442
Database Links
PubChem CID 91827367
Search Google for chemical match using the InChIKey DRMVDBATNZBNEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DRMVDBATNZBNEB
Search UniChem for chemical match using the InChIKey DRMVDBATNZBNEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DRMVDBATNZBNEB
Wikipedia RG7716
Comments
Ro5028442 is an investigational selective brain-penetrant antagonist of the vasopressin V1A receptor. The discovery of this compound is reported in [1], where it is compound 8.