General Information of the Compound
| Compound ID |
CP0040671
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| Compound Name |
8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Synonyms |
[3H]-spiperone
749-02-0
8-(3-(p-Fluorobenzoyl)propyl)-1-phenyl-1,3,8-triazaspiro(45)decan-4-one
8-(3-p-Fluorobenzoyl-1-propyl)-4-oxo-1-phenyl-1,3,8-triazaspiro(4,5)decane
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[45]decan-4-one
BRN 0632204
E 525
EINECS 212-024-0
Espiperona
Espiperona [INN-Spanish]
MLS000028615
NSC 170983
R 5147
SMR000058674
SPIPERONE
Spiperone
Spiperone [USAN:INN:BAN:JAN]
Spiperonum
Spiperonum [INN-Latin]
Spiroperidol
Spiropitan
UNII-4X6E73CJ0Q
[3H]-spiperone
[3H]spiperone
spiperone
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| Structure |
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| Formula |
C23H26FN3O2
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| Molecular Weight |
395.478
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| Canonical SMILES |
Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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| InChIKey |
DKGZKTPJOSAWFA-UHFFFAOYSA-N
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| CAS |
749-02-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Protein ID: PT01005, D(2) dopamine receptor
Cell-based Assay
Protein ID: PT00943, D(3) dopamine receptor
Cell-based Assay
Protein ID: PT01161, D(4) dopamine receptor
Protein ID: PT06109, Geminin
Clinical Information about the Compound
Drug 1 ( [3H]spiperone )
| Drug Name | [3H]spiperone | ||
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| Target(s) |
Dopamine D3 receptor (D3R)
Antagonist
Dopamine D4 receptor (D4R)
Antagonist
Dopamine D2 receptor (D2R)
Antagonist
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