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Ligand

NameCHEMBL596602
Molecular formulaC30H28FN5O3
IUPAC name2-[(6S)-6-[(6-fluoro-2H-indazol-3-yl)methyl]-5,7-dioxo-4-phenyl-1,4-diazepin-1-yl]-N-phenyl-N-propan-2-ylacetamide
Molecular weight525.584
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50308321
(S)-2-[2,4-Dioxo-3-(6-fluoro-1H-indazol-3-ylmethylene)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-diazepin-1-yl]-N-isopropyl-N-phenylacetamide
Inchi KeyACAPSPDLUQSDKO-VWLOTQADSA-N
Inchi IDInChI=1S/C30H28FN5O3/c1-20(2)36(23-11-7-4-8-12-23)28(37)19-34-15-16-35(22-9-5-3-6-10-22)30(39)25(29(34)38)18-27-24-14-13-21(31)17-26(24)32-33-27/h3-17,20,25H,18-19H2,1-2H3,(H,32,33)/t25-/m0/s1
PubChem CID46228763
ChEMBLCHEMBL596602
IUPHARN/A
BindingDB50308321
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1371Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
1370Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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