| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 21 | Yes |
Popular Name: 5'-N-methylcarboxamidoadenosine 5'-N-methylcarboxamidoadenosine
Find On: PubMed — Wikipedia — Google
CAS Number: 35788-27-3
| 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) | -1.12 | -2.04 | -15.96 | 5 | 10 | 0 | 148 | 294.271 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 84 | 0.47 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 720 | 0.41 | Binding ≤ 10μM |
| AA2BR-1-E | Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 720 | 0.41 | Binding ≤ 10μM |
| AA3R-2-E | Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 6 | 0.55 | Binding ≤ 10μM |
| OXGR1-1-E | G Protein-coupled Receptor 80 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 51 | 0.49 | Binding ≤ 10μM |
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1930 | 0.38 | Binding ≤ 10μM |
| Z100273-1-O | P3 Purinoceptor (cluster #1 Of 1), Other | Other | 51 | 0.49 | Binding ≤ 10μM |
| Z50588-3-O | Canis Familiaris (cluster #3 Of 7), Other | Other | 11 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 101 | 0.47 | Binding ≤ 1μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 330 | 0.43 | Binding ≤ 1μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 66.8 | 0.48 | Binding ≤ 1μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 72 | 0.48 | Binding ≤ 1μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 6.4 | 0.55 | Binding ≤ 1μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 51 | 0.49 | Binding ≤ 1μM |
| Z100273 | Z100273 | P3 Purinoceptor | 51 | 0.49 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 101 | 0.47 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 330 | 0.43 | Binding ≤ 10μM |
| AA2AR_HUMAN | P29274 | Adenosine A2a Receptor, Human | 1700 | 0.38 | Binding ≤ 10μM |
| AA2BR_RAT | P29276 | Adenosine A2b Receptor, Rat | 66.8 | 0.48 | Binding ≤ 10μM |
| AA2BR_HUMAN | P29275 | Adenosine A2b Receptor, Human | 1700 | 0.38 | Binding ≤ 10μM |
| AA3R_RAT | P28647 | Adenosine A3 Receptor, Rat | 72 | 0.48 | Binding ≤ 10μM |
| AA3R_HUMAN | P33765 | Adenosine A3 Receptor, Human | 6.4 | 0.55 | Binding ≤ 10μM |
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 1930 | 0.38 | Binding ≤ 10μM |
| OXGR1_RAT | Q6Y1R5 | G Protein-coupled Receptor 80, Rat | 51 | 0.49 | Binding ≤ 10μM |
| Z100273 | Z100273 | P3 Purinoceptor | 51 | 0.49 | Binding ≤ 10μM |
| Z50588 | Z50588 | Canis Familiaris | 11 | 0.53 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Methylation | |
| NGF-independant TRKA activation | |
| Sulfur amino acid metabolism |
