UCPH-101

Ligand id: 4609

Name: UCPH-101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 85.34
Molecular weight 422.16
XLogP 6.88
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Synonyms
UCPH101
Database Links
CAS Registry No. 1118460-77-7 (source: Scifinder)
ChEMBL Ligand CHEMBL474133
PubChem CID 25223366
Search Google for chemical match using the InChIKey YBMGNDPBARCLFT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YBMGNDPBARCLFT
Search UniChem for chemical match using the InChIKey YBMGNDPBARCLFT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YBMGNDPBARCLFT
Comments
UCPH101 is a negative allosteric modulator of solute carrier 1 (SLC1) family transporter EAAT1 (SLC1A3) [1,3], with utility as a pharmacological tool. The X-ray crystal structure of the ligand-bound transporter is published in [2].