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Ligand

NameAC1MFZXS
Molecular formulaC23H27N5O3
IUPAC name7-cyclopentyl-6-imino-11-methyl-2-oxo-N-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight421.501
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.6
SynonymsSMR000612041
1-cyclopentyl-2-imino-10-methyl-5-oxo-N-(tetrahydrofuran-2-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CHEBI:116879
7-cyclopentyl-6-imino-11-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
EU-0014240
[ Show all ]
Inchi KeyGGMIFFPFTQSWTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N5O3/c1-14-6-4-10-27-20(14)26-21-18(23(27)30)12-17(19(24)28(21)15-7-2-3-8-15)22(29)25-13-16-9-5-11-31-16/h4,6,10,12,15-16,24H,2-3,5,7-9,11,13H2,1H3,(H,25,29)
PubChem CID2928283
ChEMBLCHEMBL1605019
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: 3
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GLASS IDNameUniProtGeneSpeciesLength
95811Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
95812Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
95813Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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