ketanserin   Click here for help

GtoPdb Ligand ID: 88

Synonyms: ketaserin | R41 468
Approved drug PDB Ligand
ketanserin is an approved drug
Compound class: Synthetic organic
Comment: Ketanserin is an antihypertensive drug, also used as a research tool to investigate function of the serotonin 5-HT2 receptor family.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 75.17
Molecular weight 395.16
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2
Isomeric SMILES Fc1ccc(cc1)C(=O)C1CCN(CC1)CCn1c(=O)[nH]c2c(c1=O)cccc2
InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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Summary of Clinical Use Click here for help
May be used as an anti-hypertensive. There is no information regarding approval for clinical use of this drug on the US FDA or European Medicines Agency websites. Individual national approval agencies may have granted marketing authorisation. The drug may also be approved for veterinary use.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
This drug has affinity for multiple GPCRs, including 5-HT2A, 5-HT2C5-HT2C, histamine H1, and α1-adrenoceptors.