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Ligand

NameSCHEMBL4054703
Molecular formulaC22H29N5
IUPAC name4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-9-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
Molecular weight363.509
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsCHEMBL1082549
Inchi KeyKMYVBYYBQAUEAL-HHBDYARMSA-N
Inchi IDInChI=1S/C22H29N5/c23-22-25-20-17(15-7-2-1-3-8-15)10-4-5-11-18(20)21(26-22)27-13-16-9-6-12-24-19(16)14-27/h1-3,7-8,16-17,19,24H,4-6,9-14H2,(H2,23,25,26)/t16-,17?,19+/m1/s1
PubChem CID44462955
ChEMBLCHEMBL1082549
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173138Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391
173139Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
173140Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

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