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Ligand

NameMLS000094900
Molecular formulaC25H26FN5O3S
IUPAC name2-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
Molecular weight495.573
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.0
Synonyms2-[5-[2-(butan-2-ylamino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
cid_3245101
AC1MMVK8
2-(5-{[2-(sec-butylamino)-2-oxoethyl]thio}-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(4-fluorobenzyl)acetamide
N-(4-fluorobenzyl)-2-[3-keto-5-[[2-keto-2-(sec-butylamino)ethyl]thio]-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
[ Show all ]
Inchi KeyBFCBHWDZHDMAAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26FN5O3S/c1-3-15(2)28-22(33)14-35-25-30-19-7-5-4-6-18(19)23-29-20(24(34)31(23)25)12-21(32)27-13-16-8-10-17(26)11-9-16/h4-11,15,20H,3,12-14H2,1-2H3,(H,27,32)(H,28,33)
PubChem CID3245101
ChEMBLCHEMBL1544333
IUPHARN/A
BindingDB76105
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22166Apelin receptorP35414APLNRHomo sapiens (Human)380
22165Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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