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 6.61
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
Comments
Talnetant (SB-223412) is an orally active, selective neurokinin-3 (NK3) receptor antagonist that was developed as a potential anti-schizophrenia drug [2-4,6,8].
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.
Database Links
BindingDB Ligand 50051293
CAS Registry No. 174636-32-9 (source: Scifinder)
ChEMBL Ligand CHEMBL10188
GtoPdb PubChem SID 135650992
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
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Search UniChem for chemical match using the InChIKey BIAVGWDGIJKWRM-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone BIAVGWDGIJKWRM
Wikipedia Talnetant

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Tocris
SB 223412
Cat. No. 4672