| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2005 | 30 | No |
Popular Name: Cl-IB-MECA Cl-IB-MECA
| 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) | 2.71 | -10.66 | -15.83 | 4 | 10 | 0 | 134 | 544.737 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 35 | 0.35 | Binding ≤ 10μM |
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 823 | 0.28 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 470 | 0.30 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.23 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| AA3R-1-E | Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.42 | Functional ≤ 10μM |
| AA3R-1-E | Adenosine A3 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2 | 0.41 | Functional ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 6310 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_MOUSE | Q60612 | Adenosine A1 Receptor, Mouse | 35 | 0.35 | Binding ≤ 1μM |
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 222 | 0.31 | Binding ≤ 1μM |
| AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 890 | 0.28 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 820 | 0.28 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 470 | 0.30 | Binding ≤ 1μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 401 | 0.30 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.22 | 0.45 | Binding ≤ 1μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 0.33 | 0.44 | Binding ≤ 1μM |
| AA3R_MOUSE | Q61618 | Adenosine Receptor A3, Mouse | 0.18 | 0.45 | Binding ≤ 1μM |
| AA1R_MOUSE | Q60612 | Adenosine A1 Receptor, Mouse | 35 | 0.35 | Binding ≤ 10μM |
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 1240 | 0.28 | Binding ≤ 10μM |
| AA1R_BOVIN | P28190 | Adenosine A1 Receptor, Bovin | 890 | 0.28 | Binding ≤ 10μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 820 | 0.28 | Binding ≤ 10μM |
| AA2AR_MOUSE | Q60613 | Adenosine A2a Receptor, Mouse | 10000 | 0.23 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 470 | 0.30 | Binding ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 401 | 0.30 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 0.22 | 0.45 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 0.33 | 0.44 | Binding ≤ 10μM |
| AA3R_MOUSE | Q61618 | Adenosine Receptor A3, Mouse | 0.18 | 0.45 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 2.2 | 0.40 | Functional ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 6309.57344 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| NGF-independant TRKA activation |
