| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 30 | Yes |
Popular Name: Carvedilol Carvedilol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 610309-89-2 , 72956-09-3 , 95093-99-5 , [610309-89-2] , [72956-09-3]
(+-)-1-(Carbazol-4-yloxy)-3-((2-(o-methoxyphenoxy)ethyl)amino)-2-propanol
(+-)-1-(Carbazol-4-yloxy)-3-((2-(o-methoxyphenoxy)ethyl)amino)-2-propanol; Carvedilol; SKF 105517
(+-)-1-Carbazol-4-yloxy)-3-((2-(o-methoxyphenoxy)ethyl)amino)-2-propanol
(+/-)-1-(Carbazol-4-yloxy)-3-[[2-(o-methoxyphenoxy)ethyl]amino]-2-propanol
1-(9H-carbazol-4-yloxy)-3-[(2-{[2-(methyloxy)phenyl]oxy}ethyl)amino]propan-2-ol
1-(9H-Carbazol-4-yloxy)-3-[2-(2-methoxy-phenoxy)-ethylamino]-propan-2-ol
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
1-(9H-Carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-2-propanol
1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol
2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-
2-Propanol, 1-(9H-carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-, (+-)-
2-Propanol, 1-(9H-carbazol-4-yloxy)-3-[[2-(2-methoxyphenoxy)ethyl]amino]-
610309-89-2; Carvedilol phosphate (USAN); Carvedilol phosphate hydrate (JAN); Coreg CR (TN); D03415
72956-09-3; Artist (TN); Carvedilol (JAN/USAN/INN); Coreg (TN); D00255
72956-09-3; C06875; Carvedilol
Atlana Pharma brand of carvedilol
BM 14.190; BM-14-190; BM-14.190; SK&F-105517-D
CPD000449280; Carvedilol; SAM001247021
| 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) | 3.56 | 7.36 | -51.12 | 4 | 6 | 1 | 80 | 407.49 | 10 | ↓ |
| Hi High (pH 8-9.5) | 3.56 | 5.94 | -15.03 | 3 | 6 | 0 | 76 | 406.482 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 117 | TCI |
| ALOGPS_SOLUBILITY | 4.44e-03 g/l | DrugBank-approved |
| Purity | 99% | APIChem |
| Purity | >98% | Matrix Scientific |
| Target | Adrenergic Receptor | Selleck Chemicals |
| therap | beta-adrenergic blocker | MicroSource Spectrum |
| mechanism | Beta-Adrenoceptor blocker | IBScreen Bioactives IBScreen Bioactives |
| Therapy | betaadrenergic blocker | SMDC Iconix |
| mechanism | Calcium channel blocker | IBScreen Bioactives |
| Patent Database Links | EP0893440; EP1106210; EP1367052; EP1479666; EP1533292; EP1541175; EP1553091; EP1602334; EP1629835; EP1649857; EP1655285; EP1661558; EP1669345; EP1702623; EP1741700; EP1741713; EP1746099; EP1785144; EP1829858; EP1832576; EP1862181; EP1884513; EP1889847; EP | ChEBI |
| Indications | heat failure | KeyOrganics Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100277 | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100277 | NIH Clinical Collection via PubChem |
| biological_use | Vasodilator | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1-2-E | Beta-1 Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.42 | Binding ≤ 10μM |
| KCNH2-4-E | HERG (cluster #4 Of 5), Eukaryotic | Eukaryotes | 4980 | 0.25 | Binding ≤ 10μM |
| P97706-1-E | Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.27 | Binding ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1700 | 0.27 | Binding ≤ 10μM |
| P97706-1-E | Sodium Channel Protein Type VI Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 306 | 0.30 | Functional ≤ 10μM |
| SCN5A-1-E | Sodium Channel Protein Type V Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 306 | 0.30 | Functional ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 1), Eukaryotic | Eukaryotes | 306 | 0.30 | Functional ≤ 10μM |
| Z50466-2-O | Trypanosoma Cruzi (cluster #2 Of 8), Other | Other | 8000 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 0.81 | 0.42 | Binding ≤ 1μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 350 | 0.30 | Binding ≤ 1μM |
| ADRB1_RAT | P18090 | Beta-1 Adrenergic Receptor, Rat | 0.81 | 0.42 | Binding ≤ 10μM |
| KCNH2_HUMAN | Q12809 | HERG, Human | 350 | 0.30 | Binding ≤ 10μM |
| SCN5A_RAT | P15389 | Sodium Channel Protein Type V Alpha Subunit, Rat | 1700 | 0.27 | Binding ≤ 10μM |
| P97706_RAT | P97706 | Sodium Channel Protein Type VI Alpha Subunit, Rat | 1700 | 0.27 | Binding ≤ 10μM |
| SCN5A_RAT | P15389 | Sodium Channel Protein Type V Alpha Subunit, Rat | 306 | 0.30 | Functional ≤ 10μM |
| P97706_RAT | P97706 | Sodium Channel Protein Type VI Alpha Subunit, Rat | 306 | 0.30 | Functional ≤ 10μM |
| SCN8A_RAT | O88420 | Sodium Channel Protein Type VIII Alpha Subunit, Rat | 306 | 0.30 | Functional ≤ 10μM |
| Z50466 | Z50466 | Trypanosoma Cruzi | 8000 | 0.24 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenoceptors | |
| G alpha (s) signalling events | |
| Voltage gated Potassium channels |
