| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 38 | Yes |
Popular Name: Conivaptan Hydrochloride Conivaptan Hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 168626-94-6 , 210101-16-9 , [168626-94-6]
Conivaptan (INN); Conivaptan HCl (FDA
Conivaptan (INN); Conivaptan Hydrochloride (FDA
| 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) | 5.69 | 14.99 | -45.21 | 3 | 6 | 1 | 79 | 499.594 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.69 | 14.56 | -20.71 | 2 | 6 | 0 | 78 | 498.586 | 4 | ↓ |
| Mid Mid (pH 6-8) | 5.69 | 14.57 | -17.85 | 2 | 6 | 0 | 78 | 498.586 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.75e-03 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Indications | hyponatremia | KeyOrganics Bioactives |
| Indications | potential treatment of hyponatremia, congestive heart failure, hypertension | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR-1-E | Vasopressin V1a Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| V2R-1-E | Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| V1AR-2-E | Vasopressin V1a Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.31 | Functional ≤ 10μM |
| V2R-1-E | Vasopressin V2 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 0.43 | 0.35 | Binding ≤ 1μM |
| V2R_HUMAN | P30518 | Vasopressin V2 Receptor, Human | 0.36 | 0.35 | Binding ≤ 1μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 0.43 | 0.35 | Binding ≤ 10μM |
| V2R_HUMAN | P30518 | Vasopressin V2 Receptor, Human | 0.36 | 0.35 | Binding ≤ 10μM |
| V1AR_HUMAN | P37288 | Vasopressin V1a Receptor, Human | 3 | 0.31 | Functional ≤ 10μM |
| V2R_HUMAN | P30518 | Vasopressin V2 Receptor, Human | 11 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| G alpha (s) signalling events | |
| Vasopressin regulates renal water homeostasis via Aquaporins | |
| Vasopressin-like receptors |
