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Ligand

NameAminopotentidine
Molecular formulaC26H35N7O2
IUPAC name4-amino-N-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
Molecular weight477.613
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.5
SynonymsDTXSID30276539
4-Amino-N-[2-[[(cyanoamino)[[3-[3-(1-piperidinylmethyl)phenoxy]propyl]imino]methyl]amino]ethyl]benzamide
BDBM50406645
MolPort-023-275-919
AC1L4URV
[ Show all ]
Inchi KeyCICDSYWWNDGAGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H35N7O2/c27-20-32-26(31-14-13-29-25(34)22-8-10-23(28)11-9-22)30-12-5-17-35-24-7-4-6-21(18-24)19-33-15-2-1-3-16-33/h4,6-11,18H,1-3,5,12-17,19,28H2,(H,29,34)(H2,30,31,32)
PubChem CID164435
ChEMBLCHEMBL72844
IUPHARN/A
BindingDB50406645, 22887
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
42541Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
42539Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
42540Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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