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Ligand

NameCHEMBL278805
Molecular formulaC22H22Cl2N8O3S
IUPAC name4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N,N-bis(2-chloroethyl)benzenesulfonamide
Molecular weight549.431
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50108027
2-(2-Furyl)-6-[2-[4-[bis(2-chloroethyl)sulfamoyl]phenyl]ethyl]-6H-1,3,3a,5,6,7-hexaaza-as-indacene-4-amine
4-(2-(5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)ethyl)-N,N-bis(2-chloroethyl)benzenesulfonamide
4-[2-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-ethyl]-N,N-bis-(2-chloro-ethyl)-benzenesulfonamide
Inchi KeyAFJNCGQVDPTGRN-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22Cl2N8O3S/c23-8-11-30(12-9-24)36(33,34)16-5-3-15(4-6-16)7-10-31-20-17(14-26-31)21-27-19(18-2-1-13-35-18)29-32(21)22(25)28-20/h1-6,13-14H,7-12H2,(H2,25,28)
PubChem CID11017082
ChEMBLCHEMBL278805
IUPHARN/A
BindingDB50108027
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4209Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
4211Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
4210Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
4208Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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