| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 20 | Yes |
Popular Name: Promazine hydrochloride Promazine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 53-60-1 , 53-60-1, 58-40-2 [promazi , 53-60-1, 58-40-2 [promazine] , 58-40-2 , [53-60-1]
10-(3-(Dimethylamino)propyl)phenothiazine
10-[3-(Dimethylamino)propyl]phenothiazine
10H-Phenothiazine-10-propanamine, N,N-dimethyl-
10H-Phenothiazine-10-propanamine, N,N-dimethyl- (9CI)
10H-Phenothiazine-10-propanamine, N,N-dimethyl-, monohydrochloride
53-60-1; D00797; Promazine hydrochloride (USP); Sparine (TN)
53-60-1; Prestwick_974; Promazine hydrochloride
58-40-2; Combelen [veterinary] (TN); D08430; Promazine (INN)
Dimethyl(3-phenothiazin-10-ylpropyl)amine
INN); Promazine Hydrochloride (FDA
N,N-Dimethyl-3-(10H-phenothiazin-10-yl)-1-propanamine hydrochloride
N,N-dimethyl-3-(10H-phenothiazin-10-yl)propan-1-amine
N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine
N-(3-Dimethylaminopropyl)phenothiazine
N-Dimethylamino-1-methylethyl thiodiphenylamine
Phenothiazine, 10-(3-(dimethylamino)propyl)-
Phenothiazine, 10-[3-(dimethylamino)propyl]-
| 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) | 4.38 | 11.35 | -38.34 | 1 | 2 | 1 | 9 | 285.436 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.07e-02 g/l | DrugBank-approved |
| Therapy | antipsychotic | SMDC Iconix |
| Purity | BP98 | APIChem |
| Patent Database Links | EP1627639; EP1990639; US2004254182; US2007203119; US2007207222; US2007248677; US2007258891; US2007258894; US2007259952; WO2007103687; WO2007124757; WO2008116308 | ChEBI |
| Indications | schizophrenia | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 130 | 0.48 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1040 | 0.42 | Binding ≤ 10μM |
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1040 | 0.42 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1040 | 0.42 | Binding ≤ 10μM |
| PRIO-1-E | Prion Protein (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.37 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.37 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.37 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.37 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.37 | Binding ≤ 10μM |
| Z50425-2-O | Plasmodium Falciparum (cluster #2 Of 22), Other | Other | 10000 | 0.35 | Functional ≤ 10μM |
| DRD2-14-E | Dopamine D2 Receptor (cluster #14 Of 24), Eukaryotic | Eukaryotes | 1040 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 130 | 0.48 | Binding ≤ 1μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 130 | 0.48 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 1040 | 0.42 | Binding ≤ 10μM |
| DRD1_BOVIN | Q95136 | Dopamine D1 Receptor, Bovin | 130 | 0.48 | Binding ≤ 10μM |
| DRD2_BOVIN | P20288 | Dopamine D2 Receptor, Bovin | 130 | 0.48 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 1040 | 0.42 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 1040 | 0.42 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 1040 | 0.42 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 1040 | 0.42 | Binding ≤ 10μM |
| PRIO_HUMAN | P04156 | Prion Protein, Human | 5000 | 0.37 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 5400 | 0.37 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 5400 | 0.37 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 5400 | 0.37 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 5400 | 0.37 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 1000 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Interaction between L1 and Ankyrins | |
| NCAM1 interactions |
