| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 27 | No |
Popular Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate diethyl 2,6-dimethyl-4-(3-nitrop…
2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
| 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) | 4.32 | 11.35 | -16.41 | 1 | 8 | 0 | 110 | 374.393 | 8 | ↓ |
| Ref Reference (pH 7) | 3.57 | 9.86 | -36.09 | 0 | 8 | -1 | 117 | 373.385 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-1-E | Adenosine A1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3340 | 0.28 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2510 | 0.29 | Binding ≤ 10μM |
| CAC1C-1-E | Voltage-gated L-type Calcium Channel Alpha-1C Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1D-1-E | Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1F-1-E | Voltage-gated L-type Calcium Channel Alpha-1F Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAC1S-1-E | Voltage-gated L-type Calcium Channel Alpha-1S Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 0.1 | 0.52 | Binding ≤ 1μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 0.1 | 0.52 | Binding ≤ 1μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 0.1 | 0.52 | Binding ≤ 1μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 0.1 | 0.52 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 3340 | 0.28 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 2510 | 0.29 | Binding ≤ 10μM |
| CAC1C_HUMAN | Q13936 | Voltage-gated L-type Calcium Channel Alpha-1C Subunit, Human | 0.1 | 0.52 | Binding ≤ 10μM |
| CAC1D_HUMAN | Q01668 | Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human | 0.1 | 0.52 | Binding ≤ 10μM |
| CAC1F_HUMAN | O60840 | Voltage-gated L-type Calcium Channel Alpha-1F Subunit, Human | 0.1 | 0.52 | Binding ≤ 10μM |
| CAC1S_HUMAN | Q13698 | Voltage-gated L-type Calcium Channel Alpha-1S Subunit, Human | 0.1 | 0.52 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| G alpha (i) signalling events | |
| NCAM1 interactions | |
| Regulation of insulin secretion |
