| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 19 | Yes |
8-Chloro-2,3,4,5-tetrahydro-5-phenyl-1H-3-benzazepin-7-ol, hydrochloride, (R)
8-Chloro-2,3,4,5-tetrahydro-5-phenyl-1H-3-benzazepin-7-ol,hydrochloride,
| 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) | 3.29 | -2.26 | -51.66 | 3 | 2 | 1 | 36 | 274.771 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY2-2-E | Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ADCY3-2-E | Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ADCY4-2-E | Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ADCY5-2-E | Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ADCY6-2-E | Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| ADCY8-1-E | Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.61 | Binding ≤ 10μM |
| Q8CFM9-1-E | Adenylate Cyclase Type VII (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| DRD2-2-E | Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic | Eukaryotes | 676 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| ADCY3_RAT | P21932 | Adenylate Cyclase Type III, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| ADCY4_RAT | P26770 | Adenylate Cyclase Type IV, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| ADCY6_RAT | Q03343 | Adenylate Cyclase Type VI, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| Q8CFM9_RAT | Q8CFM9 | Adenylate Cyclase Type VII, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| ADCY8_RAT | P40146 | Adenylate Cyclase Type VIII, Rat | 0.94 | 0.67 | Binding ≤ 1μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 4.9 | 0.61 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 2.35 | 0.64 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 676 | 0.45 | Binding ≤ 1μM |
| ADCY2_RAT | P26769 | Adenylate Cyclase Type II, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| ADCY3_RAT | P21932 | Adenylate Cyclase Type III, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| ADCY4_RAT | P26770 | Adenylate Cyclase Type IV, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| ADCY5_RAT | Q04400 | Adenylate Cyclase Type V, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| ADCY6_RAT | Q03343 | Adenylate Cyclase Type VI, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| Q8CFM9_RAT | Q8CFM9 | Adenylate Cyclase Type VII, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| ADCY8_RAT | P40146 | Adenylate Cyclase Type VIII, Rat | 0.94 | 0.67 | Binding ≤ 10μM |
| DRD1_HUMAN | P21728 | Dopamine D1 Receptor, Human | 4.9 | 0.61 | Binding ≤ 10μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 2.35 | 0.64 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 676 | 0.45 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 1374 | 0.43 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Adenylate cyclase activating pathway | |
| Adenylate cyclase inhibitory pathway | |
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (s) signalling events | |
| G alpha (z) signalling events | |
| Glucagon signaling in metabolic regulation | |
| PKA activation | |
| PKA activation in glucagon signalling | |
| Vasopressin regulates renal water homeostasis via Aquaporins |
