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Ligand

NameCarbetapentane citrate
Molecular formulaC26H39NO10
IUPAC name2-[2-(diethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular weight525.595
Hydrogen bond acceptor11
Hydrogen bond donor4
XlogPNone
SynonymsHMS3260P08
KS-00000XMF
MolPort-003-666-361
1-Phenylcyclopentanecarboxylic acid 2-(2-diethylaminoethoxy)ethyl ester citrate salt
NCGC00093760-02
[ Show all ]
Inchi KeyAKJDEXBCRLOVTH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
PubChem CID90010
ChEMBLCHEMBL1256696
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7602Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
7603Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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