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Ligand

NameCHEMBL1259129
Molecular formulaC22H26N6S
IUPAC name1-methyl-4-[3-[(1-methyltetrazol-5-yl)methyl]-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine
Molecular weight406.552
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50328499
1-Methyl-4-[8-(1-methyl-1H-tetrazol-5-ylmethyl)-10,11-dihydrodibenzo-[b,f]thiepin-10-yl]piperazine
Inchi KeyAKYWUMKVNYAANP-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N6S/c1-26-9-11-28(12-10-26)19-15-17-5-3-4-6-20(17)29-21-8-7-16(13-18(19)21)14-22-23-24-25-27(22)2/h3-8,13,19H,9-12,14-15H2,1-2H3
PubChem CID49781891
ChEMBLCHEMBL1259129
IUPHARN/A
BindingDB50328499
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8040Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
8039D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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