| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 27th, 2009 | 25 | No |
Popular Name: Bay K 8644 Bay K 8644
Find On: PubMed — Wikipedia — Google
CAS Numbers: 71145-03-4 , 71145-03-4; 93468-89-4; 98791-67-4 , N/A
1,4-dihydro-2,6-dimethyl-5-nitro-4-(2-(trifluoromethyl)phenyl)-3-pyridinecarboxylicacidmethylester
| 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) | 4.10 | 9.86 | -14.01 | 1 | 6 | 0 | 84 | 356.3 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 785 | 0.34 | Binding ≤ 10μM |
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 6660 | 0.29 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2770 | 0.31 | Binding ≤ 10μM |
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 18 | 0.43 | Binding ≤ 10μM |
| Z50512-1-O | Cavia Porcellus (cluster #1 Of 7), Other | Other | 770 | 0.34 | Functional ≤ 10μM |
| Z50592-3-O | Oryctolagus Cuniculus (cluster #3 Of 8), Other | Other | 46 | 0.41 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 18 | 0.43 | Functional ≤ 10μM |
| Z80141-1-O | GH3 (Pituitary Adenoma Cells) (cluster #1 Of 1), Other | Other | 15 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 785 | 0.34 | Binding ≤ 1μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 18 | 0.43 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 6660 | 0.29 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 2770 | 0.31 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 6200 | 0.29 | Binding ≤ 10μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 18 | 0.43 | Binding ≤ 10μM |
| Z50512 | Z50512 | Cavia Porcellus | 1950 | 0.32 | Functional ≤ 10μM |
| Z80141 | Z80141 | GH3 (Pituitary Adenoma Cells) | 15 | 0.44 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 46 | 0.41 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 170 | 0.38 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| G alpha (i) signalling events | |
| NCAM1 interactions | |
| Regulation of insulin secretion |
