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Ligand

NameZalospirone
Molecular formulaC24H29N5O2
IUPAC name(1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Molecular weight419.529
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.4
SynonymsCHEMBL3990567
Zalospirona [INN-Spanish]
(1R,2R,6S,7S,8S,11R)-4-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-4-azatetracyclo[5.4.2.0^{2,6}.0^{8,11}]trideca-9,12-diene-3,5-dione
SCHEMBL247563
Zalospirone [INN]
[ Show all ]
Inchi KeyAERLHOTUXIJQFV-RCPZPFRWSA-N
Inchi IDInChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+
PubChem CID163925
ChEMBLN/A
IUPHAR58
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5532605-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422

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