indoramin   

GtoPdb Ligand ID: 501

Synonyms: Baratol® | Doralese® | indoramine | WY-21901
indoramin is an approved drug (UK (1993))
Compound class: Synthetic organic
Comment: Indoramin is a selective antagonist of α1-adrenoceptors [3].
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 48.13
Molecular weight 347.2
XLogP 3.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2
Isomeric SMILES O=C(c1ccccc1)NC1CCN(CC1)CCc1c[nH]c2c1cccc2
InChI InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)
InChI Key JXZZEXZZKAWDSP-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (UK (1993))
IUPAC Name
N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide
International Nonproprietary Names
INN number INN
3064 indoramin
Synonyms
Baratol® | Doralese® | indoramine | WY-21901
Database Links
BindingDB Ligand 50033113
CAS Registry No. 26844-12-2 (source: Scifinder)
ChEMBL Ligand CHEMBL279516
DrugCentral Ligand 1443
GtoPdb PubChem SID 135650391
PubChem CID 33625
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Wikipedia Indoramin