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Ligand

Name2-{3-[4-(2,4-dichlorobenzyl)piperazin-1-yl]-3-oxopropyl}-1H-isoindole-1,3(2H)-dione
Molecular formulaC22H21Cl2N3O3
IUPAC name2-[3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
Molecular weight446.328
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.9
SynonymsSMR000107203
MLS000111277
AC1LQAKK
ChemDivAM_000415
ChemDiv1_009020
[ Show all ]
Inchi KeyADWVFVWRGKYLDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H21Cl2N3O3/c23-16-6-5-15(19(24)13-16)14-25-9-11-26(12-10-25)20(28)7-8-27-21(29)17-3-1-2-4-18(17)22(27)30/h1-6,13H,7-12,14H2
PubChem CID1346216
ChEMBLCHEMBL389516
IUPHARN/A
BindingDBN/A
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
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GLASS IDNameUniProtGeneSpeciesLength
3188Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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