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Ligand

NameCHEMBL227713
Molecular formulaC31H33F4N3O4S
IUPAC name(3R)-3-(4-fluorophenyl)-N-[(4R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl]-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide
Molecular weight619.676
Hydrogen bond acceptor10
Hydrogen bond donor2
XlogP5.0
Synonyms(R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmethyl)-3,4-dihydro-2H-chromen-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)propanamide
BDBM50209744
SCHEMBL13926526
(R)-3-(4-fluorophenyl)-N-((R)-7-(piperidin-1-ylmethyl)chroman-4-yl)-3-(3-(trifluoromethyl)phenylsulfonamido)-propanamide
Inchi KeyDRRWMFNQXRLTHS-VSGBNLITSA-N
Inchi IDInChI=1S/C31H33F4N3O4S/c32-24-10-8-22(9-11-24)28(37-43(40,41)25-6-4-5-23(18-25)31(33,34)35)19-30(39)36-27-13-16-42-29-17-21(7-12-26(27)29)20-38-14-2-1-3-15-38/h4-12,17-18,27-28,37H,1-3,13-16,19-20H2,(H,36,39)/t27-,28-/m1/s1
PubChem CID16221282
ChEMBLCHEMBL227713
IUPHARN/A
BindingDB50209744
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
67249B1 bradykinin receptorP97583Bdkrb1Rattus norvegicus (Rat)337
67250B1 bradykinin receptorP48748BDKRB1Oryctolagus cuniculus (Rabbit)352
67251B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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