arpromidine   Click here for help

GtoPdb Ligand ID: 1221

Abbreviated name: ARP
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Arpromidine is a histamine H1 receptor antagonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 91.98
Molecular weight 380.21
XLogP 2.51
No. Lipinski's rules broken 0
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Canonical SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
Isomeric SMILES NC(=NCCCc1[nH]cnc1)NCCC(c1ccccn1)c1ccc(cc1)F
InChI InChI=1S/C21H25FN6/c22-17-8-6-16(7-9-17)19(20-5-1-2-11-25-20)10-13-27-21(23)26-12-3-4-18-14-24-15-28-18/h1-2,5-9,11,14-15,19H,3-4,10,12-13H2,(H,24,28)(H3,23,26,27)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
6255 arpromidine
Database Links Click here for help
Specialist databases
GPCRdb Ligand arpromidine
Other databases
CAS Registry No. 106669-71-0 (source: Scifinder)
ChEMBL Ligand CHEMBL293802
GtoPdb PubChem SID 135649957
PubChem CID 65895
Search Google for chemical match using the InChIKey KZZIVOLMJPSDEP-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey KZZIVOLMJPSDEP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey KZZIVOLMJPSDEP-UHFFFAOYSA-N