| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 19 | Yes |
Popular Name: aristeromycin aristeromycin
Find On: PubMed — Wikipedia — Google
CAS Number: 19186-33-5
| 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) | -1.13 | -9.63 | -16.95 | 5 | 8 | 0 | 130 | 265.273 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -4.39 | -9.47 | -36.8 | 6 | 8 | 1 | 132 | 266.281 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5039689 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6260 | 0.38 | Binding ≤ 10μM |
| AA2AR-1-E | Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2150 | 0.42 | Binding ≤ 10μM |
| SAHH-1-E | Adenosylhomocysteinase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4850 | 0.39 | Binding ≤ 10μM |
| Z50467-1-O | Trichomonas Vaginalis (cluster #1 Of 3), Other | Other | 10000 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 6260 | 0.38 | Binding ≤ 10μM |
| AA2AR_RAT | P30543 | Adenosine A2a Receptor, Rat | 2150 | 0.42 | Binding ≤ 10μM |
| SAHH_HUMAN | P23526 | Adenosylhomocysteinase, Human | 4850 | 0.39 | Binding ≤ 10μM |
| Z50467 | Z50467 | Trichomonas Vaginalis | 10000 | 0.37 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| Methylation | |
| NGF-independant TRKA activation | |
| Sulfur amino acid metabolism |
