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Ligand

NameSCHEMBL602901
Molecular formulaC21H27N5
IUPAC name4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
Molecular weight349.482
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsCHEMBL1084424
8-phenyl-4-((4aR,7aR)-tetrahydro-1H-pyrrolo[3,4-b]pyridin-6(2H,7H,7aH)-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
JYPYORVDNYSNSU-AGPBCMBSSA-N
Inchi KeyJYPYORVDNYSNSU-AGPBCMBSSA-N
Inchi IDInChI=1S/C21H27N5/c22-21-24-19-16(14-6-2-1-3-7-14)9-4-10-17(19)20(25-21)26-12-15-8-5-11-23-18(15)13-26/h1-3,6-7,15-16,18,23H,4-5,8-13H2,(H2,22,24,25)/t15-,16?,18+/m1/s1
PubChem CID44462954
ChEMBLCHEMBL1084424
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
163262Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391
163263Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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