ketanserin   

GtoPdb Ligand ID: 88

Synonyms: ketaserin | R41 468
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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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)
InChI Key FPCCSQOGAWCVBH-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione
International Nonproprietary Names
INN number INN
5087 ketanserin
Synonyms
ketaserin | R41 468
Database Links
CAS Registry No. 74050-98-9 (source: ChEBI)
ChEBI CHEBI:6123
ChEMBL Ligand CHEMBL51
DrugCentral Ligand 1524
GtoPdb PubChem SID 135650453
PubChem CID 3822
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Wikipedia Ketanserin