Molecular Details

DICL_CP_0376683 - 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0376683

PubChem CID

5566

Molecular Formula

C₂₁H₂₄F₃N₃S

Molecular Weight

407.505 g/mol

Synonyms/Alias

[trifluoperazine; 117-89-5; Trifluperazine; Trifluoroperazine; Trifluoperazin; Flurazine; Triflurin; Triperazine; Trifluoperazina; Trifluoromethylperazine; Trifluoperazinum; Trifluroperizine; Apo-Trif...[trifluoperazine; 117-89-5; Trifluperazine; Trifluoroperazine; Trifluoperazin; Flurazine; Triflurin; Triperazine; Trifluoperazina; Trifluoromethylperazine; Trifluoperazinum; Trifluroperizine; Apo-Trifluoperazine; Eskazine; RP 7623; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine; TFP; Fluoperazine; Trifluoromethyl-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine; Trifluoperazinum [INN-Latin]; Trifluoperazina [INN-Spanish]; CCRIS 6994; HSDB 3195; 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; 10H-Phenothiazine; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; EINECS 204-219-4; NSC 17474; NSC 46061; NSC-17474; 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; Calmazine; UNII-214IZI85K3; CHEBI:45951; Trifluoperazine (INN); 10-(gamma-(N-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine; 214IZI85K3; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine; 10H-Phenothiazine; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; NSC-46061; RP-7623; 2-Trifluoromethyl-10-(3-(1-methyl-4-piperazinyl)propyl)phenothiazine; Phenothiazine; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-; 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE; SKF 5019; Stellazine; NSC17474; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine; Trifluoperazina [Italian]; TRIFLUOPERAZINE [INN]; Trifluoperazinum (INN-Latin); Trifluoperazina (INN-Spanish); Trifluoperazine [INN:BAN]; 81498-90-0; C21H24F3N3S; MLS001146870; MLS002702821; 2-Trifluoromethyl-10-[3-(1-methyl-4-piperazinyl)propyl]phenothiazine; 10H-Phenothiazine;10-[3-[4-(methyl-d3)-1-piperazinyl]propyl]-2-(trifluoromethyl)-; SMR001566649; 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine dihydrochloride; CAS-440-17-5; Apo-trifluoperazine (TN); Stelazine (*Dihydrochloride*); 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)phenothiazine; Phenothiazine; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-; 10-(3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL)-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE; NCI17474; Synklor (Salt/Mix); 1432064-02-2; Stelazine (Salt/Mix); Triftazin (Salt/Mix); Spectrum_000668; Terfluzine (Salt/Mix); Triftazine (Salt/Mix); Jatroneural (Salt/Mix); Fluoperazine (Salt/Mix); Triphthazine (Salt/Mix); Prestwick0_000313; Prestwick1_000313; Prestwick2_000313; Prestwick3_000313; Spectrum2_000828; Spectrum3_001374; Spectrum4_000368; Spectrum5_001553; Lopac-T-8516; Biomol-NT_000060; CHEMBL422; cid_5566; NCIStruc1_001127; NCIStruc2_001093; TRIFLUOPERAZINE [MI]; BIDD:PXR0132; Lopac0_001232; SCHEMBL24866; BSPBio_000306; BSPBio_001190; BSPBio_002928; GTPL214; KBioGR_000530; KBioGR_000835; KBioGR_002431; KBioSS_000530; KBioSS_001148; KBioSS_002437; MLS006011857; DivK1c_000843; TRIFLUOPERAZINE [HSDB]; SPBio_000755; SPBio_002525; TRIFLUOPERAZINE [VANDF]; BPBio1_000338; BPBio1_001345; 2-TRIFLUOROMETHYL-10-; DTXSID1046928; TRIFLUOPERAZINE [WHO-DD]; BDBM79181; cid_2913535; KBio1_000843; KBio2_000530; KBio2_001148; KBio2_002431; KBio2_003098; KBio2_003716; KBio2_004999; KBio2_005666; KBio2_006284; KBio2_007567; KBio3_000959; KBio3_000960; KBio3_002148; KBio3_002910; N05AB06; cMAP_000048; NINDS_000843; Bio1_000458; Bio1_000947; Bio1_001436; Bio2_000435; Bio2_000915; HMS1362L11; HMS1792L11; HMS1990L11; HMS2089J11; HMS3429O07; KUC109776N; BCP32898; EX-A3330; CCG-37306; NCGC00013226; PDSP1_001300; PDSP2_001284; s5856; STK182873; 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine; AKOS001487920; DB00831; SDCCGSBI-0051199.P005; IDI1_000843; IDI1_002190; KSC-210-031; MRF-0000088; QTL1_000085; NCGC00013226-02; NCGC00013226-03; NCGC00013226-04; NCGC00013226-05; NCGC00013226-06; NCGC00013226-07; NCGC00013226-08; NCGC00013226-09; NCGC00013226-10; NCGC00013226-11; NCGC00013226-12; NCGC00013226-13; NCGC00013226-15; NCGC00013226-26; NCGC00013226-32; NCGC00024251-03; NCGC00024251-04; NCGC00024251-05; NCGC00024251-06; NCGC00024251-07; AC-35814; NCI60_001427; NCI60_004087; TS-09796; SBI-0051199.P003; AB00053558; NS00007413; C07168; D08636; EN300-708763; AB00053558-27; AB00053558_28; AB00053558_29; L001075; Q1752915; SR-01000003020-6; BRD-K89732114-001-02-6; BRD-K89732114-001-03-4; BRD-K89732114-001-05-9; BRD-K89732114-300-05-5; BRD-K89732114-300-07-1; Triphthazine;Trifluperazine;NSC-17474;RP-7623;SKF-5019; 10-(.gamma.-(N-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine; 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine #; 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride; 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride]

InChI Key

ZEWQUBUPAILYHI-UHFFFAOYSA-N

InChI

InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(...

IUPAC Name

10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine

CAS Number

117-89-5

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

28 31 0 0 0 0 0 0 0 0999 V2000
-7.3653 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9270 -1.1480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8391 -0...

Download SDF File (2505 bytes)

Experimental Data

Activity Data

Target Ion Channel

Inositol 1-4-5-trisphosphate (InsP3) type 1

Uniprot Accession Number

Q14643

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 60000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

Not specified

Temperature

37 °C

Test Method

Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay

Test Species

pig cerebellum

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/s0898-6568(00)00140-6

URL

N/A (Not available)

PMID

11257448

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

4.9456

Complexity

107.569

TPSA (Å²)

9.72

H-Bond Donors

H-Bond Acceptors

Ring Count

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