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Ligand

NameCHEMBL2023111
Molecular formulaC29H25F6N5O5S
IUPAC name2-[3-[1-[6-[4-(trifluoromethoxy)phenyl]sulfonyl-2-(trifluoromethyl)-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-7-yl]cyclobutyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
Molecular weight669.599
Hydrogen bond acceptor16
Hydrogen bond donor2
XlogP5.9
SynonymsSCHEMBL1085548
BDBM50381916
Inchi KeyAODCQIBERISBGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37)
PubChem CID25128867
ChEMBLCHEMBL2023111
IUPHARN/A
BindingDB50381916
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10129Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399
10130Bombesin receptor subtype-3O54798Brs3Mus musculus (Mouse)399

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