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Ligand

NameCHEMBL591026
Molecular formulaC32H33N5O4
IUPAC name2-[4-benzyl-6-(2H-indazol-3-ylmethyl)-5,7-dioxo-1,4-diazepin-1-yl]-N-(4-methoxyphenyl)-N-propan-2-ylacetamide
Molecular weight551.647
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.1
SynonymsBDBM50308331
(+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl]-N-(1-methylethyl)-N-[4-(methyloxy)phenyl]acetamide
Inchi KeyAOCBNSDOVIQENU-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H33N5O4/c1-22(2)37(24-13-15-25(41-3)16-14-24)30(38)21-36-18-17-35(20-23-9-5-4-6-10-23)31(39)27(32(36)40)19-29-26-11-7-8-12-28(26)33-34-29/h4-18,22,27H,19-21H2,1-3H3,(H,33,34)
PubChem CID46228845
ChEMBLCHEMBL591026
IUPHARN/A
BindingDB50308331
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
10113Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
10114Melanocyte-stimulating hormone receptorQ01726MC1RHomo sapiens (Human)317

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