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Ligand

NameCHEMBL220515
Molecular formulaC24H26ClN5O2
IUPAC name3-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-5H-pyrimido[5,4-b]indol-4-one
Molecular weight451.955
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.6
SynonymsN/A
Inchi KeyAMDQVJAWEJXJFN-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H26ClN5O2/c1-16-26-22-18-5-3-4-6-19(18)27-23(22)24(31)30(16)14-11-28-9-12-29(13-10-28)20-15-17(25)7-8-21(20)32-2/h3-8,15,27H,9-14H2,1-2H3
PubChem CID16721110
ChEMBLCHEMBL220515
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
8779Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
8780Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
8778Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
8781Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
8782Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
8783Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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