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Ligand

NameCHEMBL28178
Molecular formulaC16H15F3N4
IUPAC name4-piperazin-1-yl-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline
Molecular weight320.319
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
Synonyms4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline
7-Trifluoromethyl-4-(1-piperazinyl)pyrrolo[1,2-a]quinoxaline
4-Piperazin-1-yl-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline(desmethyl-CGS-12066B)
BDBM50015710
Inchi KeyBLPNNGLJLMTUHN-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H15F3N4/c17-16(18,19)11-3-4-13-12(10-11)21-15(14-2-1-7-23(13)14)22-8-5-20-6-9-22/h1-4,7,10,20H,5-6,8-9H2
PubChem CID10805623
ChEMBLCHEMBL28178
IUPHARN/A
BindingDB50015710
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 4
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GLASS IDNameUniProtGeneSpeciesLength
268745-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
268755-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
268735-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
268725-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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