| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 15 | Yes |
Popular Name: DNC008818 DNC008818
| 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) | 1.70 | 6.05 | -7.92 | 2 | 5 | 0 | 70 | 203.249 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.47 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 8200 | 0.47 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8200 | 0.47 | Binding ≤ 10μM |
| P4K2A-2-E | PI4-kinase Type II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8700 | 0.47 | Binding ≤ 10μM |
| P4K2B-2-E | PI4-kinase Type II Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8700 | 0.47 | Binding ≤ 10μM |
| PI4KA-2-E | PI4-kinase Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8700 | 0.47 | Binding ≤ 10μM |
| PI4KB-1-E | PI4-kinase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8700 | 0.47 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 10000 | 0.47 | Binding ≤ 10μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 1800 | 0.54 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 3400 | 0.51 | Binding ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 1800 | 0.54 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 3400 | 0.51 | Binding ≤ 10μM |
| PI4KA_HUMAN | P42356 | PI4-kinase Alpha Subunit, Human | 6000 | 0.49 | Binding ≤ 10μM |
| PI4KB_HUMAN | Q9UBF8 | PI4-kinase Beta Subunit, Human | 6000 | 0.49 | Binding ≤ 10μM |
| P4K2A_HUMAN | Q9BTU6 | PI4-kinase Type II, Human | 6000 | 0.49 | Binding ≤ 10μM |
| P4K2B_HUMAN | Q8TCG2 | PI4-kinase Type II Beta, Human | 6000 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation | |
| Synthesis of PIPs at the early endosome membrane | |
| Synthesis of PIPs at the ER membrane | |
| Synthesis of PIPs at the Golgi membrane | |
| Synthesis of PIPs at the plasma membrane |
