| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2008 | 23 | Yes |
Popular Name: Loxapine Succinate Loxapine Succinate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1977-10-2 , 27833-64-3 , 27833-64-3, 1977-10-2 , 27833-64-3, 1977-10-2 [loxapine] , 54810-23-0 , [27833-64-3]
1977-10-2; Adasuve (TN); D02340; Loxapine (USAN/INN)
2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz(b,f)(1,4)oxazepine
2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine
2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine succinate (1:1)
2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine
2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)oxazepine
27833-64-3; D00794; Loxapine succinate (USP); Loxitane (TN)
27833-64-3; Loxapine succinate; Prestwick_304
54810-23-0 (mono-hydrochloride)
54810-23-0; D08148; Desconex (TN); Loxapine hydrochloride
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine
CL-62362; SUM 3170; SUM-3170; CL-71563
CPD000058470; LOXAPINE SUCCINATE; SAM001247061
CPD000058470; Loxapine; Loxapine succinate; SAM001247061
Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-
Loxapine Hydrochloride (FDA); Loxapine (BAN
USAN); Loxapine HCl (FDA); Loxapine Succinate (FDA
| 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) | 4.25 | 7.92 | -8.16 | 0 | 4 | 0 | 33 | 327.815 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.03e-01 g/l | DrugBank-approved |
| Target | 5-HT Receptor,Dopamine Receptor | Selleck Chemicals |
| therap | antipsychotic | MicroSource Spectrum |
| Indications | anxiolytic, antipsychotic, schizophrenia | KeyOrganics Bioactives |
| Therapy | Dibenzoxazepine antipsychotic agent | SMDC MicroSource |
| Patent Database Links | EP1181933; EP1627639; EP1844769; EP1990046; US2004142904; US2005009870; US2005014786; US2005080087; US2006166974; US2006199798; US2007207222; US2007208004; US2007232691; US2007238725; US2007259952; US2007270403; WO2005007628; WO2005016286; WO2005037199; W | ChEBI |
| Patent Database Links | EP1627639; EP1829534; US2007185018; US2007212428; US2008221078; WO2007112581 | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100738; 1 succinic acid | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100738; SALT: 1 succinic acid | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.50 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1000 | 0.37 | Binding ≤ 10μM |
| 5HT6R-2-E | Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 50 | 0.44 | Binding ≤ 10μM |
| 5HT7R-2-E | Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 43 | 0.45 | Binding ≤ 10μM |
| ACM1-1-E | Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5500 | 0.32 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 22 | 0.47 | Binding ≤ 10μM |
| DRD4-2-E | Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 5 | 0.51 | Binding ≤ 10μM |
| HRH1-1-E | Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.37 | Binding ≤ 10μM |
| DRD2-15-E | Dopamine D2 Receptor (cluster #15 Of 24), Eukaryotic | Eukaryotes | 21 | 0.47 | Binding ≤ 10μM |
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 18 | 0.47 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 5012 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 18 | 0.47 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 21 | 0.47 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 21 | 0.47 | Binding ≤ 1μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 22 | 0.47 | Binding ≤ 1μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 14 | 0.48 | Binding ≤ 1μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1000 | 0.37 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 6 | 0.50 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1000 | 0.37 | Binding ≤ 1μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 15 | 0.48 | Binding ≤ 1μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 43 | 0.45 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 18 | 0.47 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 21 | 0.47 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 21 | 0.47 | Binding ≤ 10μM |
| DRD3_HUMAN | P35462 | Dopamine D3 Receptor, Human | 22 | 0.47 | Binding ≤ 10μM |
| DRD4_HUMAN | P21917 | Dopamine D4 Receptor, Human | 14 | 0.48 | Binding ≤ 10μM |
| HRH1_RAT | P31390 | Histamine H1 Receptor, Rat | 1000 | 0.37 | Binding ≤ 10μM |
| ACM1_HUMAN | P11229 | Muscarinic Acetylcholine Receptor M1, Human | 5500 | 0.32 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 6 | 0.50 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 1000 | 0.37 | Binding ≤ 10μM |
| 5HT6R_HUMAN | P50406 | Serotonin 6 (5-HT6) Receptor, Human | 15 | 0.48 | Binding ≤ 10μM |
| 5HT7R_RAT | P32305 | Serotonin 7 (5-HT7) Receptor, Rat | 43 | 0.45 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Muscarinic acetylcholine receptors | |
| Serotonin receptors |
