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Ligand

NameCHEMBL320356
Molecular formulaC29H41N3O2
IUPAC name4-[[(2S,5R)-4-(cyclopropylmethyl)-2,5-dimethylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide
Molecular weight463.666
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.0
Synonyms4-[(4-Cyclopropylmethyl-2,5-dimethyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide
BDBM50091223
Inchi KeyAYWQCTYILXHFKM-YDOMFUIGSA-N
Inchi IDInChI=1S/C29H41N3O2/c1-6-30(7-2)29(33)25-15-13-24(14-16-25)28(26-9-8-10-27(17-26)34-5)32-19-21(3)31(18-22(32)4)20-23-11-12-23/h8-10,13-17,21-23,28H,6-7,11-12,18-20H2,1-5H3/t21-,22+,28?/m1/s1
PubChem CID44338348
ChEMBLN/A
IUPHARN/A
BindingDB50091223
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
17852Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372

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