| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2004 | 31 | Yes |
Popular Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-N-(4-methoxyphenyl)benzenesulfonamide N-[2-(3,4-dihydro-1H-isoquinolin…
| 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) | 3.75 | 9.9 | -22.21 | 0 | 6 | 0 | 67 | 436.533 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 160 | 0.31 | Functional ≤ 10μM |
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 115 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 160 | 0.31 | Functional ≤ 10μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 115 | 0.31 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
