| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 12th, 2010 | 25 | Yes |
Popular Name: N-(cyclopropylmethyl)-6-phenyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyridine-3-carboxamide N-(cyclopropylmethyl)-6-phenyl-N…
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| 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) | 2.80 | 9.97 | -10.36 | 0 | 4 | 0 | 42 | 336.435 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR-1-E | Oxytocin Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3162 | 0.31 | Functional ≤ 10μM |
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 3981 | 0.30 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| OXYR_HUMAN | P30559 | Oxytocin Receptor, Human | 3162.27766 | 0.31 | Functional ≤ 10μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 3981.07171 | 0.30 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Vasopressin-like receptors |
