| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 30 | Yes |
Popular Name: 8-ethyl-1-methyl-7-(1-propylbutyl)-3-(2,4,6-trimethylphenyl)purine-2,6-dione 8-ethyl-1-methyl-7-(1-propylbuty…
| 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) | 6.49 | 15.15 | -11.96 | 0 | 6 | 0 | 62 | 410.562 | 7 | ↓ |
| Mid Mid (pH 6-8) | 6.49 | 15.59 | -32.38 | 1 | 6 | 1 | 63 | 411.57 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CRFR1-1-E | Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 191 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CRFR1_RAT | P35353 | Corticotropin Releasing Factor Receptor 1, Rat | 191 | 0.31 | Binding ≤ 1μM |
| CRFR1_RAT | P35353 | Corticotropin Releasing Factor Receptor 1, Rat | 191 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) | |
| G alpha (s) signalling events |
