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Ligand

NameCHEMBL253234
Molecular formulaC25H28ClN5O
IUPAC name[(6aR,9R,10aR)-5-chloro-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
Molecular weight449.983
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50423489
Inchi KeyMCPROUXJZKHUBG-HGHGUNKESA-N
Inchi IDInChI=1S/C25H28ClN5O/c1-29-15-16(25(32)31-11-9-30(10-12-31)22-7-2-3-8-27-22)13-18-17-5-4-6-20-23(17)19(14-21(18)29)24(26)28-20/h2-8,16,18,21,28H,9-15H2,1H3/t16-,18-,21-/m1/s1
PubChem CID44447009
ChEMBLCHEMBL253234
IUPHARN/A
BindingDB50423489
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
202250Somatostatin receptor type 1P28646Sstr1Rattus norvegicus (Rat)391

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