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Ligand

NameCHEMBL1259231
Molecular formulaC23H26N4S
IUPAC name1-methyl-4-[3-(2-methylpyrazol-3-yl)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Molecular weight390.549
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.7
SynonymsBDBM50328480
1-Methyl-4-(8-(1-methyl-1H-pyrazol-5-yl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine
Inchi KeyAJESKKMIWNWSBT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26N4S/c1-25-11-13-27(14-12-25)21-16-18-5-3-4-6-22(18)28-23-8-7-17(15-19(21)23)20-9-10-24-26(20)2/h3-10,15,21H,11-14,16H2,1-2H3
PubChem CID49781234
ChEMBLCHEMBL1259231
IUPHARN/A
BindingDB50328480
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6839Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
6838Alpha-1B adrenergic receptorP18841ADRA1BMesocricetus auratus (Golden hamster)515
6841Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561
6840D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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