BRL-15572   Click here for help

GtoPdb Ligand ID: 10

Synonyms: BRL 15572 | BRL-15,572 | BRL15572
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: BRL-15572 is a selective antagonist of the serotonin 5-HT1D receptor.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 26.71
Molecular weight 406.18
XLogP 5.3
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O
Isomeric SMILES Clc1cccc(c1)N1CCN(CC1)CC(C(c1ccccc1)c1ccccc1)O
InChI InChI=1S/C25H27ClN2O/c26-22-12-7-13-23(18-22)28-16-14-27(15-17-28)19-24(29)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,24-25,29H,14-17,19H2
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
BRL 15572 | BRL-15,572 | BRL15572
Database Links Click here for help
Specialist databases
GPCRdb Ligand BRL-15572
Other databases
CAS Registry No. 193611-72-2 (source: Scifinder)
ChEMBL Ligand CHEMBL534232
GtoPdb PubChem SID 135650023
PubChem CID 3654103
Search Google for chemical match using the InChIKey QJHCTHPYUOXOGM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QJHCTHPYUOXOGM
UniChem Compound Search for chemical match using the InChIKey QJHCTHPYUOXOGM-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey QJHCTHPYUOXOGM-UHFFFAOYSA-N
Wikipedia BRL-15,572