| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 14 | No |
Popular Name: B-HT 920 DIHYDROCHLORIDE B-HT 920 DIHYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101626-70-4 , 101626-70-4; 36085-73-1 , 36085-73-1
101626-70-4; D08558; Talipexole (INN)
36085-73-1; D01505; Domin (TN); Talipexole hydrochloride (JAN)
| 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) | 1.85 | 5.05 | -37.51 | 3 | 3 | 1 | 43 | 210.326 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.85 | 3.29 | -5.22 | 2 | 3 | 0 | 42 | 209.318 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A-4-E | Alpha-2a Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 25 | 0.76 | Binding ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 25 | 0.76 | Binding ≤ 10μM |
| ADA2C-4-E | Alpha-2c Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 25 | 0.76 | Binding ≤ 10μM |
| DRD2-22-E | Dopamine D2 Receptor (cluster #22 Of 24), Eukaryotic | Eukaryotes | 6 | 0.82 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 5.8 | 0.82 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 25 | 0.76 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 2700 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (z) signalling events |
No pre-computed analogs available. Try a structural similarity search.