ABT-670

Ligand id: 8439

Name: ABT-670

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 59.28
Molecular weight 325.18
XLogP 4.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
Synonyms
ABT 670 | ABT670 | compound 6b [PMID 17149874]
Database Links
CAS Registry No. 630119-43-6
ChEMBL Ligand CHEMBL219182
GtoPdb PubChem SID 252166649
PubChem CID 16094676
Search Google for chemical match using the InChIKey PUMMPCXNEPHBNN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PUMMPCXNEPHBNN
Search UniChem for chemical match using the InChIKey PUMMPCXNEPHBNN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PUMMPCXNEPHBNN
Comments
ABT-670 is an orally bioavailable agonist of the dopamine D4 receptor [1]. The compound was designed as a potential treatment for erectile dysfunction.