| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 26 | Yes |
10-(3-(4-Hydroxypiperidino)propyl)phenothiazine-2-carbonitrile
10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine-2-carbonitrile
10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
2-Cyano-10-(3-(4-hydroxy-1-piperidyl)propyl)phenothiazine
2-Cyano-10-(3-(4-hydroxypiperidino)propyl)phenothiazine
2622-26-6; D01485; Neuleptil (TN); Periciazine; Propericiazine (JAN)
4-Piperidinol, 1-(3-(2-cyano-10-phenothiazinyl)propyl)-
Cyano-3 ((hydroxy-4 piperidyl-1)-3 propyl)-10 phenothiazine
Cyano-3 ((hydroxy-4 piperidyl-1)-3 propyl)-10 phenothiazine [French]
INN); Pericyazine (BAN); Propericiazine (DCF
MI); Pericyazine (BAN); Propericiazine (DCF
periciazina; periciazine; periciazinum
Periciazine;Pericyazine;Piperocyanomazine
Phenothiazine-2-carbonitrile, 10-(3-(4-hydroxypiperidino)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) | 3.14 | 9.92 | -49.3 | 2 | 4 | 1 | 53 | 366.51 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 5.90e-02 g/l | DrugBank-approved |
| Therapy | antipsychotic | SMDC MicroSource |
| Patent Database Links | EP1815846; EP1829527; EP1829528; US2007203119; US2007259952; WO2007124757 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-5-E | Acetylcholinesterase (cluster #5 Of 12), Eukaryotic | Eukaryotes | 7000 | 0.28 | Binding ≤ 10μM |
| ANDR-1-E | Androgen Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3000 | 0.30 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 230 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 230 | 0.36 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 7000 | 0.28 | Binding ≤ 10μM |
| ANDR_RAT | P15207 | Androgen Receptor, Rat | 3000 | 0.30 | Binding ≤ 10μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 230 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Nuclear Receptor transcription pathway | |
| Synthesis of PC |
No pre-computed analogs available. Try a structural similarity search.