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Ligand

NameCHEMBL372651
Molecular formulaC28H27N7O
IUPAC name4-[5-ethyl-4-(8-piperazin-1-yl-2,3-dihydropyrrolo[3,2-g]isoquinoline-1-carbonyl)pyrazol-1-yl]benzonitrile
Molecular weight477.572
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsSCHEMBL6179449
BMCUOUFSLYKUKP-UHFFFAOYSA-N
BDBM50410434
1-[1-(4-Cyanophenyl)-5-ethylpyrazol4-ylcarbonyl]-2,3-dihydro-8-(piperazin-1-yl)pyrrolo[3,2-g]isoquinoline
Inchi KeyBMCUOUFSLYKUKP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H27N7O/c1-2-25-24(18-32-35(25)22-5-3-19(17-29)4-6-22)28(36)34-12-8-21-15-20-7-9-31-27(23(20)16-26(21)34)33-13-10-30-11-14-33/h3-7,9,15-16,18,30H,2,8,10-14H2,1H3
PubChem CID44404253
ChEMBLCHEMBL372651
IUPHARN/A
BindingDB50410434
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
273285-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
273305-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
273295-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377

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