| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 29 | Yes |
Popular Name: 9-(2-bromo-4-isopropyl-phenyl)-N,N-bis(2-methoxyethyl)-2-methyl-purin-6-amine 9-(2-bromo-4-isopropyl-phenyl)-N…
| 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) | 4.71 | 10.44 | -12.83 | 0 | 7 | 0 | 65 | 462.392 | 9 | ↓ |
| 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 | 6 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CRFR1_HUMAN | P34998 | Corticotropin Releasing Factor Receptor 1, Human | 5.9 | 0.40 | Binding ≤ 1μM |
| CRFR1_HUMAN | P34998 | Corticotropin Releasing Factor Receptor 1, Human | 5.9 | 0.40 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Class B/2 (Secretin family receptors) | |
| G alpha (s) signalling events |
