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Ligand

NameCHEMBL270376
Molecular formulaC23H25F3N6OS2
IUPAC name8-[3-[[5-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-(trifluoromethyl)-6,7,9,10-tetrahydro-[1,3]oxazolo[5,4-i][3]benzazepine
Molecular weight522.609
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP4.9
SynonymsSCHEMBL4871686
AGHXSXMZVMLSGU-UHFFFAOYSA-N
BDBM50423594
8-(3-{[5-(2,4-dimethyl-1,3-thiazol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}propyl)-2-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-[1,3]oxazolo[4,5-g][3]benzazepine
Inchi KeyAGHXSXMZVMLSGU-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H25F3N6OS2/c1-13-19(35-14(2)27-13)20-29-30-22(31(20)3)34-12-4-9-32-10-7-15-5-6-17-18(16(15)8-11-32)28-21(33-17)23(24,25)26/h5-6H,4,7-12H2,1-3H3
PubChem CID11642163
ChEMBLCHEMBL270376
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4891D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
4892D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
4890Histamine H1 receptorP35367HRH1Homo sapiens (Human)487

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