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Ligand

NameCHEMBL98828
Molecular formulaC24H27ClN6O4
IUPAC nametert-butyl N-[6-[[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-6-oxohexyl]carbamate
Molecular weight498.968
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
Synonyms[5-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylcarbamoyl)-pentyl]-carbamic acid tert-butyl ester
BDBM50065765
N-[9-Chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazoline-5-yl]-6-(tert-butoxycarbonylamino)hexanamide
Inchi KeyAXNAZVNXRUWDTF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27ClN6O4/c1-24(2,3)35-23(33)26-12-6-4-5-9-19(32)28-22-27-17-11-10-15(25)14-16(17)21-29-20(30-31(21)22)18-8-7-13-34-18/h7-8,10-11,13-14H,4-6,9,12H2,1-3H3,(H,26,33)(H,27,28,32)
PubChem CID10505508
ChEMBLCHEMBL98828
IUPHARN/A
BindingDB50065765
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16869Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
16870Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
16868Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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