General Information of the Compound
Compound ID
CP0066705
Compound Name
Acebutolol
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Synonyms
(+-)-3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
(+-)-Acebutolol
(+-)-N-(3-Acetyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)butanamide
1-(2-Acetyl-4-n-butyramidophenoxy)-2-hydroxy-3-isopropylaminopropane
3'-(Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide
3'-Acetyl-4'-(2-hydroxy-3-isopropylaminopropoxy)butyranilid
5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone
Acebrutololum
Acebrutololum [INN-Latin]
Acebutolol
Acebutolol (USAN/INN)
Acebutolol HCL
Acebutolol [USAN:INN:BAN]
Acebutololo
Acebutololum
Acebutololum [INN-Latin]
Acetobutolol
Acetobutolol [INN-Spanish]
Dl-Acebutolol
M & B 17803A
M&B-17803 A
N-(3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide
N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide
N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide
Neptal
Prent
Prent (TN)
RP 21823
Sectral
Sectral (TN)
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Structure
Formula
C18H28N2O4
Molecular Weight
336.432
Canonical SMILES
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(C)=O
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InChI
InChI=1S/C18H28N2O4/c1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)
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InChIKey
GOEMGAFJFRBGGG-UHFFFAOYSA-N
CAS
37517-30-9
28197-63-9
Physicochemical Property
logP
2.3655
Rotatable Bonds
10
Heavy Atom Count
24
Polar Areas
87.66
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 1978
SID: 15075320
ChEMBL ID
CHEMBL642
DrugBank ID
DB01193
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: PT03795, Solute carrier family 22 member 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 95800 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Acebutolol )
Drug Name Acebutolol
Company Promius Pharma Llc
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
 Target Info 
Antagonist