talnetant

Ligand id: 2132

Name: talnetant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 62.22
Molecular weight 382.17
XLogP 8.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-hydroxy-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
International Nonproprietary Names
INN number INN
7872 talnetant
Synonyms
SB 223412 | SB-223,412 | SB-223412 | SB223412
Database Links
BindingDB Ligand 50051293
CAS Registry No. 174636-32-9 (source: Scifinder)
ChEMBL Ligand CHEMBL10188
PubChem CID 5311424
Search Google for chemical match using the InChIKey BIAVGWDGIJKWRM-FQEVSTJZSA-N
Search Google for chemicals with the same backbone BIAVGWDGIJKWRM
Search PubMed clinical trials talnetant
Search PubMed titles talnetant
Search PubMed titles/abstracts talnetant
Search UniChem for chemical match using the InChIKey BIAVGWDGIJKWRM-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone BIAVGWDGIJKWRM
Wikipedia Talnetant
Comments
There is some ambiguity in the stereochemical representation of talnetant as shown on other databases. The structure shown above is the same as the INN-assigned structure and shows the (S)-isomer of the compound.