ABT-670   Click here for help

GtoPdb Ligand ID: 8439

Synonyms: ABT 670 | ABT670 | compound 6b [PMID 17149874]
Compound class: Synthetic organic
Comment: ABT-670 is an orally bioavailable agonist of the dopamine D4 receptor [1]. The compound was designed as a potential treatment for erectile dysfunction.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 59.28
Molecular weight 325.18
XLogP 3.5
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
Isomeric SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1cccc[n+]1[O-]
InChI InChI=1S/C19H23N3O2/c1-15-5-4-6-17(13-15)19(23)20-14-21-11-8-16(9-12-21)18-7-2-3-10-22(18)24/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,20,23)
InChI Key PUMMPCXNEPHBNN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-methyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
Synonyms Click here for help
ABT 670 | ABT670 | compound 6b [PMID 17149874]
Database Links Click here for help
CAS Registry No. 630119-43-6
ChEMBL Ligand CHEMBL219182
GtoPdb PubChem SID 252166649
PubChem CID 16094676
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