General Information of the Compound
Compound ID
CP0192811
Compound Name
Bisoprolol
    Show/Hide
Synonyms
(+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol
(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol
1-[(1-methylethyl)amino]-3-({4-[({2-[(1-methylethyl)oxy]ethyl}oxy)methyl]phenyl}oxy)propan-2-ol
1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol
Bisocor
Bisoprolol
Bisoprolol (USAN/INN)
Bisoprolol [USAN:BAN:INN]
Bisoprolol fumerate
Bisoprolol hemifumarate
Bisoprololum
Bisoprololum [Latin]
CL-297939
Cardicor
Concor
Concor (TN)
Concore (TN)
Detensiel
EMD-33-512
EMD-33512
Emconcor
Emcor
Euradal
Isoten
Monocor
Monocor (TN)
Soloc
Soprol
Zebeta
Zebeta (TN)
    Show/Hide
Structure
Formula
C18H31NO4
Molecular Weight
325.449
Canonical SMILES
CC(C)NCC(O)COc1ccc(COCCOC(C)C)cc1
    Show/Hide
InChI
InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
    Show/Hide
InChIKey
VHYCDWMUTMEGQY-UHFFFAOYSA-N
CAS
66722-44-9
Physicochemical Property
logP
2.3659
Rotatable Bonds
12
Heavy Atom Count
23
Polar Areas
59.95
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
23

"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: 2405
SID: 14951172
ChEMBL ID
CHEMBL645
DrugBank ID
DB00612
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: PT06365, Beta-1 adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 5.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT01494, Beta-2 adrenergic receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Kd = 33000 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
Ki = 250 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Bisoprolol )
Drug Name Bisoprolol
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
 Target Info 
Antagonist