Pindolol

Basic Info

FADB-China IDC0210
Substance NameBeta stimulants
Substance Chinese NameΒ-兴奋剂类药物
Molecular NamePindolol
Molecular Chinese Name吲哚洛尔
2D StructureNo image
CAS Number13523-86-9
PubChem CID4828
FormulaC14H20N2O2
IUPAC Name1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
InChI KeyJZQKKSLKJUAGIC-UHFFFAOYSA-N
InChIInChI=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
Canonical SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC2=C1C=CN2)O

CFM-ID 3.0URL Link
Related linksPlanting/breeding
Addition PurposesIncrease lean meat percentage
Molecular Synonyms
        
            Pindolol
        
            Prinodolol
        
            13523-86-9
        
            Betapindol
        
            Carvisken
        
            Durapindol
        
            Pinbetol
        
            Calvisken
        
            Decreten
        
            Visken
Data UploaderMinQing Cai
Update DateAug 02, 2019 13:36

Properties

Property NameProperty Value
Molecular Weight248.32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Complexity248
Monoisotopic Mass248.15247789
Exact Mass248.15247789
XLogP1.8
Formal Charge0
Heavy Atom Count18
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.6929
Human Intestinal AbsorptionHIA+0.9951
Caco-2 PermeabilityCaco2+0.8867
P-glycoprotein SubstrateSubstrate0.6667
P-glycoprotein InhibitorNon-inhibitor0.9272
Non-inhibitor0.9423
Renal Organic Cation TransporterNon-inhibitor0.8179
Distribution
Subcellular localizationMitochondria0.8330
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8315
CYP450 2D6 SubstrateSubstrate0.8919
CYP450 3A4 SubstrateNon-substrate0.7080
CYP450 1A2 InhibitorNon-inhibitor0.7809
CYP450 2C9 InhibitorNon-inhibitor0.9071
CYP450 2D6 InhibitorInhibitor0.5000
CYP450 2C19 InhibitorNon-inhibitor0.9025
CYP450 3A4 InhibitorNon-inhibitor0.8310
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.8331
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9404
Non-inhibitor0.5774
AMES ToxicityNon AMES toxic0.9218
CarcinogensNon-carcinogens0.9367
Fish ToxicityHigh FHMT0.8578
Tetrahymena Pyriformis ToxicityHigh TPT0.8456
Honey Bee ToxicityLow HBT0.5147
BiodegradationNot ready biodegradable0.9843
Acute Oral ToxicityII0.7438
Carcinogenicity (Three-class)Non-required0.6203

ADMET -- Regression

Model Value Unit
Aqueous solubility-2.0593LogS
Caco-2 Permeability0.9926LogPapp, cm/s
Rat Acute Toxicity2.9438LD50, mol/kg
Fish Toxicity1.7398pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.1142pIGC50, ug/L

Related Foods

FADB-China ID F0070
Food Image No Pictures
Food Name Pork, red meat and liver
Food Chinese Name 猪肉、牛羊肉及肝脏
Food Type Non-processed food
References List of non-edible substances that may be illegally added in food (fourth batch)

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol		 

DrugBank, CAC Veterinary Drug,

Link


No Image

Carazolol		 

DrugBank, CAC Veterinary Drug,

Link


No Image

Carazolol		 

DrugBank, CAC Veterinary Drug,

Link


No Image

Mepindolol		 

FRCD

Link

References

TitleDOI/PubMed/ISSN
List of non-edible substances that may be illegally added in food (fourth batch)