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Ligand

NameCHEMBL162184
Molecular formulaC24H22N6O6S2
IUPAC name3-[[4-[2-[2-(1H-indol-3-yl)ethylcarbamothioyl]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
Molecular weight554.596
Hydrogen bond acceptor9
Hydrogen bond donor6
XlogP4.4
Synonyms3-[3-Nitro-4-[3-[2-(1H-indole-3-yl)ethyl]thioureidoamino]phenylsulfonylamino]benzoic acid
BDBM50097742
Inchi KeyFBQRMRQPHCFTHU-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N6O6S2/c31-23(32)15-4-3-5-17(12-15)29-38(35,36)18-8-9-21(22(13-18)30(33)34)27-28-24(37)25-11-10-16-14-26-20-7-2-1-6-19(16)20/h1-9,12-14,26-27,29H,10-11H2,(H,31,32)(H2,25,28,37)
PubChem CID44375062
ChEMBLCHEMBL162184
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
74484B2 bradykinin receptorP25023Bdkrb2Rattus norvegicus (Rat)396
74483Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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