| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 22 | Yes |
Popular Name: Amoxapine Amoxapine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14028-44-5 , [14028-44-5]
14028-44-5; Amoxapine (JP16/USP/INN); Asendin (TN); D00228
14028-44-5; AMOXAPINE; CPD000058416; SAM002564189
14028-44-5; Amoxapine; Prestwick_503
2-Chlor-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepin
2-Chloro-11-(1-piperazinyl)- dibenz[b,f][1,4]oxazepine
2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine
2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine; Desmethylloxapin
2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine
2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine
2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
amoxapina; amoxapine; amoxapinum
AMOXAPINE; CPD000058416; SAM002564189
DIBENZ(b,f)(1,4)OXAZEPINE, 2-CHLORO-11-(1-PIPERAZINYL)-
Dibenzo[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-
| 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) | 3.65 | 8.03 | -47.48 | 2 | 4 | 1 | 46 | 314.796 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.65 | 6.72 | -8.28 | 1 | 4 | 0 | 41 | 313.788 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.71e-01 g/l | DrugBank-approved |
| Indications | antidepressant | KeyOrganics Bioactives |
| Indications | antidepressant, bipolar disorder, anxiety disorders | KeyOrganics Bioactives |
| therap | antidepressant, inhibits norepinephrine uptake | MicroSource Spectrum |
| Target | GlyT | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : A-2543; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: A-2543; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Therapy | Tricyclic antidepressant; inhibits neuronal uptake of norepinephrine | SMDC Pharmakon |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT7R-2-E | Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 500 | 0.40 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 7943 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 500 | 0.40 | Binding ≤ 1μM |
| 5HT7R_HUMAN | P34969 | Serotonin 7 (5-HT7) Receptor, Human | 500 | 0.40 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (s) signalling events | |
| Serotonin receptors |
