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Ligand

NameCHEMBL90513
Molecular formulaC25H20N8O
IUPAC name5-[[(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-9-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-one
Molecular weight448.49
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50031964
3-[[(5-Ethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-11-(1H-tetrazol-5-yl)-5H-dibenzo[a,d]cyclohepten-5-one
3-[(5-Ethyl-pyrazolo[1,5-a]pyrimidin-7-ylamino)-methyl]-11-(1H-tetrazol-5-yl)-dibenzo[a,d]cyclohepten-5-one
Inchi KeyANIKSCLODKRPIM-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H20N8O/c1-2-17-13-23(33-22(28-17)9-10-27-33)26-14-15-7-8-19-20(11-15)24(34)18-6-4-3-5-16(18)12-21(19)25-29-31-32-30-25/h3-13,26H,2,14H2,1H3,(H,29,30,31,32)
PubChem CID10366402
ChEMBLCHEMBL90513
IUPHARN/A
BindingDB50031964
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
9599Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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