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Ligand

NameCHEMBL1803049
Molecular formulaC28H39N5O3
IUPAC name1-[[4-[3-(1-butyltriazol-4-yl)propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
Molecular weight493.652
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.6
SynonymsBDBM50347622
Inchi KeyCSXDCXKRVCLDQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H39N5O3/c1-4-5-14-33-22-24(29-30-33)9-8-19-36-27-13-12-23(20-28(27)35-3)21-31-15-17-32(18-16-31)25-10-6-7-11-26(25)34-2/h6-7,10-13,20,22H,4-5,8-9,14-19,21H2,1-3H3
PubChem CID53361302
ChEMBLCHEMBL1803049
IUPHARN/A
BindingDB50347622
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: 4
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GLASS IDNameUniProtGeneSpeciesLength
49831D(1A) dopamine receptorP50130DRD1Sus scrofa (Pig)446
49832D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
49833D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
522994D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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