| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 22 | Yes |
Popular Name: Ethopropazine hydrochloride Ethopropazine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1094-08-2 , 1094-08-2, 522-00-9 [etho , 1094-08-2, 522-00-9 [ethopropazine] , 522-00-9
(R)-ethopropazine; (alphaR)-N,N-diethyl-alpha-methyl-10H-phenothiazine
10-(2-Diethylaminopropyl)phenothiazine
10-[2-(Diethylamino)-1-Propyl]phenothiazine
10-[2-(Diethylamino)-2-methylethyl]phenothiazine
10-[2-(Diethylamino)propyl]phenothiazine
10-[2-DIETHYLAMINOPROPYL]PHENOTHIAZINE
1094-08-2; Ethopropazine hydrochloride; Prestwick_195
10H-Phenothiazine-10-ethanamine, N,N-diethyl-.alpha.-methyl-
10H-Phenothiazine-10-ethanamine, N,N-diethyl-alpha-methyl-
10H-Phenothiazine-10-ethanamine,N,N-diethyl-a-methyl-,hydrochloride (1:1)
2-Diethylamino-1-propyl-N-dibenzoparathiazine
522-00-9; D08426; Profenamine (INN)
D03276; Parkin (TN); Profenamine hibenzate (JAN)
Ethopropazine Hydrochloride (USP
INN); Profenamine Hibenzate (JAN); Profenamine Hydrochloride (JAN)
N,N-Diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine
N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
N,N-diethyl-1-phenothiazin-10-ylpropan-2-amine
N,N-Diethyl-alpha-methyl-10H-phenothiazine-10-ethanamine
PHENOTHIAZINE, 10-(2-(DIETHYLAMINO)PROPYL)-
profenamina; profenamine; profenaminum
| 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) | 5.19 | 11.63 | -29.15 | 1 | 2 | 1 | 9 | 313.49 | 5 | ↓ |
| Hi High (pH 8-9.5) | 5.19 | 9.9 | -5.37 | 0 | 2 | 0 | 8 | 312.482 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.24e-03 g/l | DrugBank-approved |
| Therapy | antiparkinsonian, anticholinergic | SMDC MicroSource |
| PUBCHEM_PATENT_ID | EP0148036A2; EP0164275A2; EP0253372A2; EP0253372B1; EP0277459A2; EP0277459B1; EP0351897A2; EP0387751A2; EP0387751B1; EP0440777A1; EP0440777B1; EP0448707A1; EP0448707B1; EP0452837A2; EP0452837B1; EP0474767A1; EP0474767B1; EP0487636A1; EP0487636B1; EP052783 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-5-E | Acetylcholinesterase (cluster #5 Of 12), Eukaryotic | Eukaryotes | 300 | 0.42 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 720 | 0.39 | Binding ≤ 10μM |
| Q9N1N9-1-E | Butyrylcholinesterase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 260 | 0.42 | Binding ≤ 1μM |
| Q9N1N9_HORSE | Q9N1N9 | Butyrylcholinesterase, Horse | 20 | 0.49 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 20 | 0.49 | Binding ≤ 1μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 720 | 0.39 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 260 | 0.42 | Binding ≤ 10μM |
| Q9N1N9_HORSE | Q9N1N9 | Butyrylcholinesterase, Horse | 20 | 0.49 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 1600 | 0.37 | Binding ≤ 10μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 720 | 0.39 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
