| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 21 | Yes |
Popular Name: Chlorprothixene Chlorprothixene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113-59-7 , 4695-61-8 , 58889-16-0 , 6469-93-8 , 861959-57-1 , [6469-93-8]
(.alpha.-2-Chloro-9-.omega.-dimethylamino-propylamine)thioxanthene
(3E)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
(3E)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
(Z)-2-Chloro-9-(omega-dimethylaminopropylidene)thioxanthene
(Z)-2-Chloro-N,N-dimethylthioxanthene-.DELTA.(sup9),(sup.gamma.)-propylamine
(Z)-2-Chloro-N,N-dimethylthioxanthene-delta(sup 9,gamma)-propylamine
1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3E)-
1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3Z)-
1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-
113-59-7; C07953; Chlorprothixene
2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE
2-Chloro-9-[.omega.-(dimethylamino)propylidene]thioxanthene
2-Chloro-9-[3-(dimethylamino)propylidene]thioxanthene
2-Chloro-N,N-dimethylthioxanthene-.delta.(sup 9), .gamma.-propylamine
3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
6469-93-8; Chlorprothixene hydrochloride (JAN); D02162
6469-93-8; Chlorprothixene hydrochloride; Prestwick_754
861959-57-1; Chlorprothixene citrate; D07687; Truxal (TN)
Chlorprothixene (JAN/USAN/INN)
Chlorprothixene [USAN:INN:BAN:JAN]
Chlorprothixenum; Clorprotixeno
cis-2-Chloro-9-(3-dimethylaminopropylidene)thioxanthene
Cloxan, Taractan, Truxal, Chlorprothixene
Thioxanthene-.delta.(sup 9), .gamma.-propylamine, 2-chloro-N,N-dimethyl-
Thioxanthene-.DELTA.9,.gamma.-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
Thioxanthene-delta(sup 9),gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
Thioxanthene-delta9,gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)-
Thioxanthene-delta9,gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)- (8CI)
WLN: T C666 BS IYJ FG IU3N1 & 1
[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]dimethylamine
{3-[2-Chloro-thioxanthen-(9Z)-ylidene]-propyl}-dimethyl-amine
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.43 | 12.22 | -40.53 | 1 | 1 | 1 | 4 | 316.877 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| mechanism | 5-HT2 : anxiolysis, antipsychotic effects | IBScreen Bioactives |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| mechanism | Alpha1 : hypotension, tachycardia | IBScreen Bioactives |
| biological_use | Antihistamine | IBScreen Bioactives |
| mechanism | D1, D2, D3 : antipsychotic effects | IBScreen Bioactives |
| Target | Dopamine Receptor | Selleck Chemicals |
| mechanism | H1 : sedation, weight gain | IBScreen Bioactives |
| mechanism | Muscarinic : anticholinergic side effects, extrapyramidal side effects attenuated | IBScreen Bioactives |
| biological_use | Neuroleptic | IBScreen Bioactives |
| Target | Others | Selleck Chemicals |
| biological_use | Psychosedative | IBScreen Bioactives |
| Indications | schizophrenia, bipolar disorder | KeyOrganics Bioactives |
| mechanism | Strong blocking effects at the following postsynaptic receptors: | IBScreen Bioactives |
| biological_use | Tranquilliser | IBScreen Bioactives IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.57 | Binding ≤ 10μM |
| 5HT7R-1-E | Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.55 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 18 | 0.52 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.55 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.54 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.56 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10000 | 0.33 | Binding ≤ 10μM |
| PDR5-1-F | Pleiotropic ABC Efflux Transporter Of Multiple Drugs (cluster #1 Of 1), Fungal | Fungi | 5100 | 0.35 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.35 | Functional ≤ 10μM |
| DRD2-14-E | Dopamine D2 Receptor (cluster #14 Of 24), Eukaryotic | Eukaryotes | 3 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 18 | 0.52 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 2.96 | 0.57 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 4.56 | 0.56 | Binding ≤ 1μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 9 | 0.54 | Binding ≤ 1μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.75 | 0.56 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 3 | 0.57 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 5.6 | 0.55 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 18 | 0.52 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 2.96 | 0.57 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 4.56 | 0.56 | Binding ≤ 10μM |
| DRD5_HUMAN | P21918 | Dopamine D5 Receptor, Human | 9 | 0.54 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 3.75 | 0.56 | Binding ≤ 10μM |
| PDR5_YEAST | P33302 | Pleiotropic ABC Efflux Transporter Of Multiple Drugs, Yeast | 5100 | 0.35 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 3 | 0.57 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 5.6 | 0.55 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 10000 | 0.33 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 10000 | 0.33 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 10000 | 0.33 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 10000 | 0.33 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Histamine receptors | |
| Interaction between L1 and Ankyrins | |
| Serotonin receptors |
