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Ligand

NameCHEMBL460644
Molecular formulaC16H18N6
IUPAC name3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridine
Molecular weight294.362
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP1.4
SynonymsSCHEMBL5399421
3-(4-Pyrimidin-2-yl-piperazin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridin
AWKDBQYMZZKKJX-UHFFFAOYSA-N
3-{(4-(Pyrimidin-2-yl)piperazin-1-yl)methyl}-1H-pyrrolo[2,3-b]pyridine
BDBM50276975
Inchi KeyAWKDBQYMZZKKJX-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H18N6/c1-3-14-13(11-20-15(14)17-4-1)12-21-7-9-22(10-8-21)16-18-5-2-6-19-16/h1-6,11H,7-10,12H2,(H,17,20)
PubChem CID22065962
ChEMBLCHEMBL460644
IUPHARN/A
BindingDB50276975
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16115D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
16113D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
16114D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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