| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 2009 | 25 | Yes |
| 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) | 2.83 | 9.42 | -9 | 1 | 7 | 0 | 77 | 340.431 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AA1R-2-E | Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2660 | 0.31 | Binding ≤ 10μM |
| CRFR1-1-E | Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| NK2R-1-E | Neurokinin 2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4900 | 0.30 | Binding ≤ 10μM |
| CRFR1-1-E | Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 129 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CRFR1_RAT | P35353 | Corticotropin Releasing Factor Receptor 1, Rat | 6.1 | 0.46 | Binding ≤ 1μM |
| CRFR1_HUMAN | P34998 | Corticotropin Releasing Factor Receptor 1, Human | 4.5 | 0.47 | Binding ≤ 1μM |
| AA1R_RAT | P25099 | Adenosine A1 Receptor, Rat | 2660 | 0.31 | Binding ≤ 10μM |
| CRFR1_RAT | P35353 | Corticotropin Releasing Factor Receptor 1, Rat | 6.1 | 0.46 | Binding ≤ 10μM |
| CRFR1_HUMAN | P34998 | Corticotropin Releasing Factor Receptor 1, Human | 4.5 | 0.47 | Binding ≤ 10μM |
| NK2R_HUMAN | P21452 | Neurokinin 2 Receptor, Human | 4900 | 0.30 | Binding ≤ 10μM |
| CRFR1_RAT | P35353 | Corticotropin Releasing Factor Receptor 1, Rat | 129 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adenosine P1 receptors | |
| Class B/2 (Secretin family receptors) | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Tachykinin receptors bind tachykinins |
