General Information of the Compound
Compound ID
CP0156994
Compound Name
1-(9H-Carbazol-4-yloxy)-3-isopropylamino-propan-2-ol
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Synonyms
1-((9H-Carbazol-4-yl)oxy)-3-(isopropylamino)propan-2-ol
1-(4-Carbazolyloxy)-3-isopropylamino-2-propanol
1-(9H-carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol
1-(9H-carbazol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
1-(Carbazol-4-yloxy)-3-(isopropylamino)-2-propanol
57775-29-8
BM 51052
BM-51052
BRN 3620576
CCRIS 1047
CHEMBL324665
Carazolol
Carazolol [INN:BAN]
Carazololum [INN-Latin]
Conducton
Conducton hydrochloride
EINECS 260-945-1
Suacron
corazolol
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Structure
Formula
C18H22N2O2
Molecular Weight
298.386
Canonical SMILES
CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
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InChI
InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
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InChIKey
BQXQGZPYHWWCEB-UHFFFAOYSA-N
CAS
57775-29-8
Physicochemical Property
logP
3.0588
Rotatable Bonds
6
Heavy Atom Count
22
Polar Areas
57.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
22

"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).

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PubChem ID
CID: 71739
SID: 15468496
ChEMBL ID
CHEMBL324665
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 = 0.09 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)  1
1
Ki = 0.03 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.114 nM
Clinical Information about the Compound
Drug 1 ( Carazolol )
Drug Name Carazolol
Target(s)
Adrenergic receptor beta-1 (ADRB1)
 Target Info 
Agonist
Adrenergic receptor beta-3 (ADRB3)
 Target Info 
Agonist