| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 13 | Yes |
Popular Name: 2-Ethyl-5,7-dimethyl-1H-imidazo[4,5-b]pyridine 2-Ethyl-5,7-dimethyl-1H-imidazo[…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 133240-06-9 , [133240-06-9]
| 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) | 2.01 | 5.14 | -15.56 | 1 | 3 | 0 | 42 | 175.235 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.01 | 5.51 | -28.12 | 2 | 3 | 1 | 43 | 176.243 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | US5210092; US5215994; US5281613; US5378701; US5387592; US5478840; US5661158; WO1994004153A1 | 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 | 101 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 101 | 0.75 | Binding ≤ 1μM |
| AA1R_HUMAN | P30542 | Adenosine A1 Receptor, Human | 101 | 0.75 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| G alpha (i) signalling events |
