DICL_CP_0333884 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0333884

PubChem CID

2726

Molecular Formula

C₁₇H₁₉ClN₂S

Molecular Weight

318.873 g/mol

Synonyms/Alias

[chlorpromazine; Thorazine; 50-53-3; Largactil; Chloropromazine; Aminazine; Contomin; Chlorderazin; Propaphenin; Chlorpromados; Fenactil; Sanopron; Wintermin; Esmind; Largactilothiazine; Megaphen; Nov...[chlorpromazine; Thorazine; 50-53-3; Largactil; Chloropromazine; Aminazine; Contomin; Chlorderazin; Propaphenin; Chlorpromados; Fenactil; Sanopron; Wintermin; Esmind; Largactilothiazine; Megaphen; Novomazina; Chlorpromazinum; Chlorpromazin; Largactyl; Phenactyl; Promactil; Aminazin; Elmarin; Fenaktyl; Promazil; Torazina; 2-Chloropromazine; Proma; Prozil; Chlor-Promanyl; Clorpromazina; Ampliactil; Psychozine; Fraction AB; 3-(2-chloro-10H-phenothiazin-10-yl)-N;N-dimethylpropan-1-amine; Amplictil; Aminasine; SKF 2601-A; Chlor-PZ; HL 5746; 10H-Phenothiazine-10-propanamine; 2-chloro-N;N-dimethyl-; BC 135; CPZ; Cromedazine; Plegomasine; Amplicitil; 3-(2-chlorophenothiazin-10-yl)-N;N-dimethylpropan-1-amine; N-(3-Dimethylaminopropyl)-3-chlorophenothiazine; HSDB 3033; Chlorpromazinum [INN-Latin]; Clorpromazina [INN-Spanish]; Chlorpromazine Tannate; 4560 R.P.; 3-(2-chlorophenothiazin-10-yl)-N;N-dimethyl-propan-1-amine; CCRIS 3711; CHEBI:3647; [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine; UNII-U42B7VYA4P; Hemoglobin kodaira; EINECS 200-045-8; U42B7VYA4P; 2-Cloro-10 (3-dimetilaminopropil)fenotiazina; 2-chloro-N;N-dimethyl-10H-Phenothiazine-10-propanamine; NSC 167745; NSC-167745; 3-(2-Chloro-10H-phenothiazin-10-yl)-N;N-dimethyl-1-propanamine; 34468-21-8; DTXSID0022808; 2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine; 2-Chloro-10-[3-(dimethylamino)propyl]phenothiazine; Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine; SKF-2601A; CHEMBL71; GG 407; NSC-226514; J2.794D; Phenothiazine; 2-chloro-10-(3-(dimethylamino)propyl)-; DTXCID002808; Chlorpromazine [USP:INN:BAN]; Phenothiazine hydrochloride; Hibanil; Unitensen; NSC167745; Phenothiazine; 2-chloro-10-[3-(dimethylamino)propyl]-; NCGC00015273-11; Thorazine Suppositories; Clorpromazina [Italian]; Chlorpromazinum (INN-Latin); Clorpromazina (INN-Spanish); 146702-01-4; CHLORPROMAZINE (MART.); CHLORPROMAZINE [MART.]; Chlorpromazine (USP:INN:BAN); Prazilpromactil; Chlordelazin; Phenathyl; chlorpromethazine; CHLORPROMAZINE (USP MONOGRAPH); CHLORPROMAZINE [USP MONOGRAPH]; CAS-50-53-3; Thorazine (TN); Z80; chlorpromazine cation; [3-(2-chloro-10H-phenothiazin-10-yl)propyl]dimethylamine hydrochloride; CAS-69-09-0; Chlorpromazine (USP/INN); Chlorpromazine cation radical; Amplicatil; Chlropromados; Fraction; 2-Cloro-10 (3-dimetilaminopropil)fenotiazina [Italian]; JHICC02042; Chloro-3 (dimethylamino-3 propyl)-10 phenothiazine [French]; SKF 2601A; SKF-2601; Hibernal (Salt/Mix); Lomazine (Salt/Mix); Tranzine (Salt/Mix); Norcozine (Salt/Mix); Spectrum_000142; Prestwick0_000064; Prestwick1_000064; Prestwick2_000064; Prestwick3_000064; Spectrum2_001156; Spectrum3_000346; Spectrum4_000283; Spectrum5_000717; Lopac-C-8138; Biomol-NT_000020; Epitope ID:136898; GTPL83; 10H-Phenothiazine-10-propanamine; 2-chloro-N;N-dimethyl-; radical ion(1+); CHLORPROMAZINE [MI]; SCHEMBL8321; CHLORPROMAZINE [INN]; 10-(3-Dimethylaminopropyl)-2-chlorophenothiazine; 2-Chloro-10-(3-dimethylaminopropyl)phenothiazine; Lopac0_000249; Oprea1_110255; BSPBio_000247; BSPBio_002011; CHLORPROMAZINE [HSDB]; KBioGR_000806; KBioGR_002312; KBioSS_000622; KBioSS_002314; MLS003166901; CHLORPROMAZINE [VANDF]; CHLORPROMAZINUM [HPUS]; DivK1c_000624; SPECTRUM1500184; 2-chloro-10-(3-(dimethylamino)propyl)-phenothiazine; SPBio_001111; SPBio_002168; BPBio1_000273; BPBio1_001181; QSPL 401; CHLORPROMAZINE [WHO-DD]; HMS501P06; KBio1_000624; KBio2_000622; KBio2_002312; KBio2_003190; KBio2_004880; KBio2_005758; KBio2_007448; KBio3_001231; KBio3_002792; A10BB02; N05AA01; N05AF03; cMAP_000017; NINDS_000624; Bio1_000457; Bio1_000946; Bio1_001435; HMS1920M03; HMS2089C12; HMS2091E06; HMS3430C19; HMS3886G22; KUC112482N; Pharmakon1600-01500184; BCP03610; CHLORPROMAZINE [ORANGE BOOK]; Tox21_110120; BBL028251; BDBM50001888; CCG-40059; MFCD00133295; NSC756661; NSC756689; s5749; STK182870; AKOS001490972; Tox21_110120_1; 4560 RP; DB00477; KS-5101; NSC-756661; NSC-756689; RP-4560; SDCCGSBI-0050237.P005; IDI1_000624; PS31 - Chlorpromazine/Norchlorpromazine; QTL1_000021; NCGC00015273-01; NCGC00015273-02; NCGC00015273-03; NCGC00015273-04; NCGC00015273-05; NCGC00015273-06; NCGC00015273-07; NCGC00015273-08; NCGC00015273-09; NCGC00015273-10; NCGC00015273-12; NCGC00015273-13; NCGC00015273-14; NCGC00015273-15; NCGC00015273-16; NCGC00015273-17; NCGC00015273-19; NCGC00015273-31; NCGC00024409-04; NCGC00024409-05; NCGC00024409-06; NCGC00024409-07; NCGC00024409-08; KSC-315-032-; SMR001453710; 2-chloro-10-[3-(dimethylamino)propyl]-; SBI-0050237.P004; WLN: T C666 BN ISJ B3N1&1 EG; 2601A; AB00051943; NS00001759; 2601-A; C06906; D00270; AB00051943-15; AB00051943-16; AB00051943_17; AB00051943_18; 3-Chloro-10-(3-dimethylaminopropyl)phenothiazine; L000182; Q407972; SR-01000000012-5; SR-01000000012-6; 2-Chloro-10-(N-dimethylamino-n-propyl)-phenothiazine; BRD-K89997465-001-05-3; 10h-phenothiazine-10-propanamine; 2-chloro-n;n-dimethyl; 1N;1N-dimethyl-3-(2-chloro-10H-10-phenothiazinyl)-1-propanamine; 3-(2-Chloro-10H-phenothiazin-10-yl)-N;N-dimethyl-1-propanamine #; 3-(2-Chloro-10H-phenothiazin-10-yl)-N;N-dimethylpropan1-amine; (chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine; (chlorpromazine)[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine; [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine (chlor-promazine); [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine( Chlorpromazine); [3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine(clorpromazine); Chlorpromazine;[3-(2-Chloro-phenothiazin-10-yl)-propyl]-dimethyl-amine]

InChI Key

ZPEIMTDSQAKGNT-UHFFFAOYSA-N

InChI

InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,...

IUPAC Name

3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

CAS Number

50-53-3

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

21 23 0 0 0 0 0 0 0 0999 V2000
-5.5035 -2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4365 -1.8616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.8160 -0...

Download SDF File (1896 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: 75000 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

4.8944

Complexity

92.194

TPSA (Å²)

6.48

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties