General Information of the Compound
Compound ID
CP0036702
Compound Name
1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol
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Synonyms
(+-)-Pindolol
(1)-1-(1H-Indol-4-yloxy)-3-(isopropylamino)propan-2-ol
1-((1-Methylethyl)amino)-3-(4-indolyloxy)-2-propanol
1-(1H-Indol-4-yloxy)-3-((1-methylethyl)amino)-2-propanol
1-(1H-Indol-4-yloxy)-3-(isopropylamino)-2-propanol
1-(1H-Indol-4-yloxy)-3-[(1-methylethyl)amino]-2-propanol
1-(1H-indol-4-yloxy)-3-(isopropylamino)propan-2-ol
1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)-propan-2-ol
1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
1-(1H-indol-4-yloxy)-3-[(1-methylethyl)amino]propan-2-ol
1-(1H-indol-4-yloxy)-3-[(propan-2-yl)amino]propan-2-ol
1-(Indol-4-yloxy)-3-(isopropylamino)-2-propanol
4-(2-Hydroxy-3-isopropylaminopropoxy)-indole
4-(3-(Isopropylamino)-2-hydroxypropoxy)indole
Betapindol
Betapindol (TN)
Blockin L
Blockin L (TN)
Blocklin
Blocklin L
Blocklin L (TN)
Blocklin-L
Blocklin-L (TN)
Calvisken
Calvisken (TN)
Cardilate (TN)
Carvisken
Carvisken (TN)
DL-4-[2-Hydroxy-3-(isopropylamino)propoxy]indole
DL-LB 46
DL-Pindolol
Decreten
Decreten (TN)
Durapindol
Durapindol (TN)
Glauco-Visken (TN)
Glauco-Viskin
Glauco-visken
LB 46
LB-46
LB46
P 0778
P-6820
Pectobloc
Pectobloc (TN)
Pinbetol
Pinbetol (TN)
Pindolol
Pindolol (JP15/USP/INN)
Pindolol [USAN:INN:BAN:JAN]
Pindololum
Pindololum [INN-Latin]
Prindolol
Prindolol (TN)
Prinodolol
Pynastin
Pynastin (TN)
Visken
Visken (TN)
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Structure
Formula
C14H20N2O2
Molecular Weight
248.326
Canonical SMILES
CC(C)NCC(O)COc1cccc2[nH]ccc12
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InChI
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3
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InChIKey
JZQKKSLKJUAGIC-UHFFFAOYSA-N
CAS
13523-86-9
21870-06-4
Physicochemical Property
logP
1.9056
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
57.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 4828
SID: 24714739
ChEMBL ID
CHEMBL500
DrugBank ID
DB00960
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  2
1
EC50 = 27 nM
   TI
   LI
   LO
   TS
2
Ki = 24 nM
   TI
   LI
   LO
   TS
CL000101 L-M(TK-) Mus musculus (Mouse)  1
1
Ki = 81.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Kd = 63.1 nM
2 Ki = 22.4 nM
3 Ki = 110 nM
Protein ID: PT01179, Beta-1 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  3
1
Kd = 2.399 nM
   TI
   LI
   LO
   TS
2
Kd = 2.63 nM
   TI
   LI
   LO
   TS
3
Kd < 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.52 nM
Protein ID: PT01494, Beta-2 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Kd = 0.537 nM
   TI
   LI
   LO
   TS
2
Kd = 0.6607 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 0.4 nM
Protein ID: PT01493, Beta-3 adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
Kd = 165.96 nM
   TI
   LI
   LO
   TS
2
Kd < 1000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pindolol )
Drug Name Pindolol
Company Tocris Bioscience
Indication
Hypertension
Approved
Target(s)
Adrenergic receptor beta-1 (ADRB1)
Antagonist