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Ligand

NameCHEMBL1077276
Molecular formulaC22H29N5
IUPAC name4-(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
SynonymsBDBM50415767
SCHEMBL14905717
Inchi KeyKMYVBYYBQAUEAL-UHFFFAOYSA-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)
PubChem CID44462956
ChEMBLCHEMBL1077276
IUPHARN/A
BindingDB50415767
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
173141Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
173142Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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