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Ligand

NameCHEMBL1084514
Molecular formulaC28H36N2O4
IUPAC nameethyl 3-[4-cyano-3-[(2R)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]phenyl]propanoate
Molecular weight464.606
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
SynonymsSCHEMBL3348397
(R)-ethyl 3-(4-cyano-3-(3-(1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-ylamino)-2-hydroxypropoxy)phenyl)propanoate
BDBM50318875
Inchi KeyDMWBVRRUBDZTBK-RUZDIDTESA-N
Inchi IDInChI=1S/C28H36N2O4/c1-4-33-27(32)12-10-20-9-11-24(17-29)26(15-20)34-19-25(31)18-30-28(2,3)16-21-13-22-7-5-6-8-23(22)14-21/h5-9,11,15,21,25,30-31H,4,10,12-14,16,18-19H2,1-3H3/t25-/m1/s1
PubChem CID10161939
ChEMBLCHEMBL1084514
IUPHARN/A
BindingDB50318875
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
64080Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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