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Ligand

NameCHEMBL1258755
Molecular formulaC20H27N3O2
IUPAC name9-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
Molecular weight341.455
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms9-(1-Isopropyl-piperidin-4-yloxy)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indol-1-one
BDBM50327471
SCHEMBL2978274
9-(1-isopropylpiperidin-4-yloxy)-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,2-a]indol-1-one
AKYDPJMTCVQONP-UHFFFAOYSA-N
Inchi KeyAKYDPJMTCVQONP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H27N3O2/c1-14(2)22-10-6-16(7-11-22)25-17-4-5-18-15(12-17)13-19-20(24)21-8-3-9-23(18)19/h4-5,12-14,16H,3,6-11H2,1-2H3,(H,21,24)
PubChem CID16679701
ChEMBLCHEMBL1258755
IUPHARN/A
BindingDB50327471
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8021Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
8019Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
8018Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445
8020Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390

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