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Ligand

NameCHEMBL1950330
Molecular formulaC25H33N3O
IUPAC name[2-(cyclopropylmethyl)-5-prop-2-enyl-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-(4-methylpiperidin-1-yl)methanone
Molecular weight391.559
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.1
SynonymsATFPKCCWKBNASV-UHFFFAOYSA-N
5-allyl-2-(cyclopropylmethyl)-8-[(4-methylpiperidin-1-yl)carbonyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
BDBM50364922
SCHEMBL3312765
Inchi KeyATFPKCCWKBNASV-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H33N3O/c1-3-11-28-23-7-6-20(25(29)27-13-8-18(2)9-14-27)15-21(23)22-17-26(12-10-24(22)28)16-19-4-5-19/h3,6-7,15,18-19H,1,4-5,8-14,16-17H2,2H3
PubChem CID11502034
ChEMBLCHEMBL1950330
IUPHARN/A
BindingDB50364922
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
13921Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
13922Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
13923Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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