| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2010 | 18 | Yes |
Popular Name: Sotalol hydrochloride Sotalol hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 30236-32-9 , 3930-20-9 , 959-24-0
( )-Sotalol hydrochloride; CPD000326828; SAM001246990
3930-20-9; D08525; Darob mite (TN); Sotalol (INN)
4'-(1-Hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide
4'-(1-hydroxy-2-(isopropylamino)ethyl)methane sulfonanilide; beta-cardone
4'-(1-Hydroxy-2-isopropylaminoethyl)methanesulfonanilid
959-24-0; Betapace (TN); D01026; Sorine (TN); Sotalol hydrochloride (JAN/USP)
CPD000326828; SAM001246990; Sotalol hydrochloride
Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-
Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)- (9CI)
Methanesulfonamide, N-(4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)phenyl)-, (+-)-
methanesulfonamide, N-[4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]phenyl]-
Methanesulfonanilide, 4'-(1-hydroxy-2-(isopropylamino)ethyl)-
N-(4-(1-Hydroxy-2-(isopropylamino)ethyl)phenyl)methanesulfonamide
N-(4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}phenyl)methanesulfonamide
N-[4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl]methanesulfonamide hydrochloride
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide
N-[4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl]methanesulfonamide hydrochloride
N-{4-[1-hydroxy-2-(isopropylamino)ethyl]phenyl}methanesulfonamide
N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Hi High (pH 8-9.5) | 0.82 | -0.91 | -41.79 | 2 | 5 | -1 | 80 | 271.362 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 7.82e-01 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| Target | Adrenergic Receptor | Selleck Chemicals |
| biological_use | Antiarrhythmic agent | IBScreen Bioactives |
| Therapy | beta-adrenergic agonist | SMDC Pharmakon |
| mechanism | Beta-Adrenergic blocker | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101403; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| mechanism | Potassium channel (K VR ) blocker | IBScreen Bioactives IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101403; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-1-E | Beta-1 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.39 | Binding ≤ 10μM |
| ADRB2-1-E | Beta-2 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.40 | Binding ≤ 10μM |
| ADRB3-1-E | Beta-3 Adrenergic Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.40 | Binding ≤ 10μM |
| Z81047-1-O | Human T-cell Line (cluster #1 Of 2), Other | Other | 1000 | 0.47 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_HUMAN | P08588 | Beta-1 Adrenergic Receptor, Human | 7200 | 0.40 | Binding ≤ 10μM |
| ADRB2_HUMAN | P07550 | Beta-2 Adrenergic Receptor, Human | 7200 | 0.40 | Binding ≤ 10μM |
| ADRB3_HUMAN | P13945 | Beta-3 Adrenergic Receptor, Human | 7200 | 0.40 | Binding ≤ 10μM |
| Z81047 | Z81047 | Human T-cell Line | 1000 | 0.47 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events |
No pre-computed analogs available. Try a structural similarity search.