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Ligand

NameCHEMBL1808417
Molecular formulaC33H40FN5O4
IUPAC name1-[1-(1-adamantylmethyl)-7-fluoro-5-(2-morpholin-4-ylethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
Molecular weight589.712
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50418879
SCHEMBL8559712
Inchi KeyBLDKSPMUUHPOSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H40FN5O4/c34-25-6-7-27-28(17-25)38(9-8-37-10-12-43-13-11-37)30(40)29(36-32(42)35-26-4-2-1-3-5-26)31(41)39(27)21-33-18-22-14-23(19-33)16-24(15-22)20-33/h1-7,17,22-24,29H,8-16,18-21H2,(H2,35,36,42)
PubChem CID19700615
ChEMBLCHEMBL1808417
IUPHARN/A
BindingDB50418879
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26435Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444

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