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Ligand

NameCUMI-101
Molecular formulaC19H27N5O3
IUPAC name2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
Molecular weight373.457
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.8
Synonyms2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2h,4h)dione
NSC_11603174
[11C]MMP
DTXSID80170856
SCHEMBL8558678
[ Show all ]
Inchi KeyMEKSQRMXWZHFIP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
PubChem CID21830793
ChEMBLCHEMBL2413154
IUPHARN/A
BindingDB86757
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: 33
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
2034875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2035095-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
2035045-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
2034775-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
2034895-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
2034955-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
2034935-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
2034865-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
203478Adenosine receptor A1P28190ADORA1Bos taurus (Bovine)326
203494Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
203498Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
203503Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
203484Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452
203499Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
203497Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
203508Alpha-2B adrenergic receptorO77700ADRA2BBos taurus (Bovine)392
203492Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
203500Beta-2 adrenergic receptorQ28044ADRB2Bos taurus (Bovine)418
203482D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
203491D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446

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