General Information of the Compound
Compound ID
CP0041757
Compound Name
1-(9H-carbazol-4-yloxy)-3-[2-(2-methoxyphenoxy)ethylamino]propan-2-ol
    Show/Hide
Synonyms
(+-)-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-(Carbazol-4-yloxy)-3-[[2-(o-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-(methyloxy)phenyl]oxy}ethyl)amino]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}propan-2-ol
Artist
Artist (TN)
Atlana Pharma brand of carvedilol
BM 14190
BM-14-190
BM-14.190
BM-14190
Carloc (TN)
Carvedilol
Carvedilol (JAN/USAN/INN)
Carvedilol [USAN:INN:BAN:JAN]
Carvedilol, (+-)-isomer
Carvedilol, (R)-isomer
Carvedilol, (S)-isomer
Carvedilol, 14C-labeled
Carvedilolum
Carvedilolum [Latin]
Coreg
Coreg (TN)
Coreg CR
Coropres
Coropress
DQ 2466
DQ-2466
Dibloc
Dilatrend
Dilatrend (TN)
EG-P042
Eucardic
Eucardic (TN)
GlaxoSmithKline brand of carvedilol
HSDB 7044
Kredex
Lakeside brand of carvedilol
Querto
Roche brand of carvedilol
SK&F-105517
SKF 105517
    Show/Hide
Structure
Formula
C24H26N2O4
Molecular Weight
406.482
Canonical SMILES
COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
    Show/Hide
InChI
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3
    Show/Hide
InChIKey
OGHNVEJMJSYVRP-UHFFFAOYSA-N
CAS
107741-96-8
72956-09-3
Physicochemical Property
logP
3.738
Rotatable Bonds
10
Heavy Atom Count
30
Polar Areas
75.74
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
30

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 2585
SID: 14855122
ChEMBL ID
CHEMBL723
DrugBank ID
DB01136
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 4600 nM
   TI
   LI
   LO
   TS
2
IC50 = 6000 nM
   TI
   LI
   LO
   TS
3
IC50 = 6600 nM
   TI
   LI
   LO
   TS
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Kd = 0.195 nM
   TI
   LI
   LO
   TS
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 92400 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10471.29 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 350 nM
2 IC50 = 10471.29 nM
3 IC50 = 12589.25 nM
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 14689.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 3400 nM
   TI
   LI
   LO
   TS
Protein ID: PT04591, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 7500 nM
   TI
   LI
   LO
   TS
Protein ID: PT03343, Toll-like receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000870 HEK-Blue Null1-v Homo sapiens (Human)  1
1
IC50 = 32220 nM
   TI
   LI
   LO
   TS
Protein ID: PT02311, UDP-glucuronosyltransferase 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 12000 nM
   TI
   LI
   LO
   TS
2
IC50 = 27000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Carvedilol )
Drug Name Carvedilol
Company GlaxoSmithKline plc
Indication
Congestive heart failure
Approved
Drug 2 ( Carvedilol )
Drug Name Carvedilol
Indication
Congestive heart failure
Approved
Coronavirus Disease 2019 (COVID-19)
Investigative