fluspirilene   Click here for help

GtoPdb Ligand ID: 85

Synonyms: Imap® | MCN-JR-6218 | R-6218 | Redeptin®
Approved drug
fluspirilene is an approved drug
Compound class: Synthetic organic
Comment: Fluspirilene is a long-acting typical antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 35.58
Molecular weight 475.24
XLogP 6.21
No. Lipinski's rules broken 1
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Canonical SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChI InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)
Bioactivity Comments
We have been unable to find affinity data for this drug at its proposed human target to substantiate its MMOA.
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Hs Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 [1]
H1 receptor Hs Antagonist Antagonist 7.9 pKi - 1
pKi 7.9 [1]
5-HT1A receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 [1]
5-HT1D receptor Hs Antagonist Antagonist 6.0 pKi - 1
pKi 6.0 [1]
5-ht1e receptor Hs Antagonist Antagonist 5.6 pKi - 1
pKi 5.6 [1]