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Ligand

NameCHEMBL2112044
Molecular formulaC34H43F3N8O7S2
IUPAC name(2R)-1-[4-[2-(benzhydrylcarbamothioyl)hydrazinyl]-3-nitrophenyl]sulfonyl-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular weight796.882
Hydrogen bond acceptor15
Hydrogen bond donor5
XlogPNone
SynonymsN/A
Inchi KeyRXCKNUNONUHMKM-LNLSOMNWSA-N
Inchi IDInChI=1S/C32H42N8O5S2.C2HF3O2/c1-37(2)21-22-38(3)20-18-33-31(41)28-15-10-19-39(28)47(44,45)26-16-17-27(29(23-26)40(42)43)35-36-32(46)34-30(24-11-6-4-7-12-24)25-13-8-5-9-14-25;3-2(4,5)1(6)7/h4-9,11-14,16-17,23,28,30,35H,10,15,18-22H2,1-3H3,(H,33,41)(H2,34,36,46);(H,6,7)/t28-;/m1./s1
PubChem CID71452660
ChEMBLCHEMBL2112044
IUPHARN/A
BindingDBN/A
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.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
307256B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396

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