In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 26th, 2005 | 31 | Yes |
Popular Name: Paliperidone Paliperidone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 144598-74-4 , 144598-75-4 , [144598-75-4]
1,2-Benzisoxazole, 4H-pyrido[1,2-a]pyrimidin-4-one deriv.
144598-75-4; D05339; Invega (TN); Paliperidone (JAN/USAN/INN)
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) | 1.97 | -1.03 | -48.96 | 2 | 7 | 1 | 85 | 427.5 | 4 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
ALOGPS_SOLUBILITY | 2.97e-01 g/l | DrugBank-approved |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Target | Dopamine Receptor | Selleck Chemicals |
PUBCHEM_PATENT_ID | EP0729353A1; EP0879051A1; EP0904081A1; EP0998917A1; EP1033987A2; US5650173; US5654008; US5688801; US5770231; US5792477; US5916598; US5965168; US6077843; US6110503; US6110921; WO1995013799A1; WO1996031201A1; WO1997041837A2; WO1997044039A1; WO1998055148A1 | IBM Patent Data |
Indications | neuroleptic, schizophrenia, bipolar disorder | KeyOrganics Bioactives |
Target | Others | Selleck Chemicals |
Therapy | schizopheria therapy | SMDC Pharmakon |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2-1-E | HERG (cluster #1 Of 5), Eukaryotic | Eukaryotes | 1300 | 0.27 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
KCNH2_HUMAN | Q12809 | HERG, Human | 1288.24955 | 0.27 | Binding ≤ 10μM |
Description | Species |
---|---|
Voltage gated Potassium channels |