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Ligand

NameCHEMBL424967
Molecular formulaC20H19F3N2S
IUPAC name11-(1-methylpiperidin-4-ylidene)-9-(trifluoromethylsulfanyl)pyrrolo[2,1-b][3]benzazepine
Molecular weight376.441
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50026967
11-(1-Methyl-piperidin-4-ylidene)-9-trifluoromethylsulfanyl-11H-benzo[d]pyrrolo[1,2-a]azepine
Inchi KeyMBPWGZJSRMMHMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H19F3N2S/c1-24-10-6-15(7-11-24)19-17-13-16(26-20(21,22)23)5-4-14(17)8-12-25-9-2-3-18(19)25/h2-5,8-9,12-13H,6-7,10-11H2,1H3
PubChem CID13141184
ChEMBLCHEMBL424967
IUPHARN/A
BindingDB50026967
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
201554Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
201555Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

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