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Ligand

Name4-[(6,7-diethoxy-4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide
Molecular formulaC24H29N3O5S
IUPAC name4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
Molecular weight471.572
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsHMS2874J13
MLS003881823
ZINC3010312
MCULE-4215117419
AC1MROTO
[ Show all ]
Inchi KeyAASNYBYSRBZNRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N3O5S/c1-4-31-20-13-18-19(14-21(20)32-5-2)26-24(33)27(23(18)29)15-16-7-9-17(10-8-16)22(28)25-11-6-12-30-3/h7-10,13-14H,4-6,11-12,15H2,1-3H3,(H,25,28)(H,26,33)
PubChem CID3496289
ChEMBLCHEMBL1493174
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
495Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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