|
gptkbp:instanceOf
|
gptkb:chemical_compound
|
|
gptkbp:approvalYear
|
1976
|
|
gptkbp:ATCCode
|
gptkb:C07AB03
|
|
gptkbp:bioavailability
|
50% (oral)
|
|
gptkbp:CASNumber
|
gptkb:29122-68-7
|
|
gptkbp:contraindication
|
asthma
heart block
severe bradycardia
|
|
gptkbp:drugClass
|
beta blocker
beta-adrenergic antagonist
|
|
gptkbp:excretion
|
gptkb:kidney
|
|
gptkbp:halfLife
|
6-7 hours
|
|
gptkbp:hasHydrogenBondAcceptorCount
|
4
|
|
gptkbp:hasHydrogenBondDonorCount
|
3
|
|
gptkbp:hasInChIKey
|
METKIMKYRPQLGS-UHFFFAOYSA-N
|
|
gptkbp:hasLogP
|
0.16
|
|
gptkbp:hasMolecularFormula
|
C14H22N2O3
|
|
gptkbp:hasRotatableBonds
|
7
|
|
gptkbp:hasSMILES
|
CC(C)NCC(COC1=CC=CC=C1O)O
|
|
gptkbp:hasTPSA
|
74.25 Ų
|
|
gptkbp:hasUNII
|
50VV3VW0TI
|
|
https://www.w3.org/2000/01/rdf-schema#label
|
CHEMBL1581
|
|
gptkbp:indication
|
gptkb:arrhythmia
myocardial infarction
hypertension
angina pectoris
|
|
gptkbp:isApprovedDrug
|
true
|
|
gptkbp:KEGGID
|
gptkb:D00222
|
|
gptkbp:legalStatus
|
prescription only
|
|
gptkbp:listedOn
|
gptkb:WHO_Model_List_of_Essential_Medicines
|
|
gptkbp:mechanismOfAction
|
beta-1 adrenergic receptor antagonist
|
|
gptkbp:meltingPoint
|
152-155°C
|
|
gptkbp:metabolism
|
liver
|
|
gptkbp:molecularWeight
|
266.34
|
|
gptkbp:name
|
gptkb:Atenolol
|
|
gptkbp:pregnancyCategory
|
C (US)
|
|
gptkbp:PubChem_CID
|
2076
2162
CHEBI:2269
DB00335
|
|
gptkbp:routeOfAdministration
|
oral
intravenous
|
|
gptkbp:sideEffect
|
dizziness
fatigue
bradycardia
cold extremities
|
|
gptkbp:synonym
|
gptkb:Atenololum
gptkb:Tenormin
|
|
gptkbp:target
|
beta-1 adrenergic receptor
|
|
gptkbp:bfsParent
|
gptkb:para-phenylenediamine
gptkb:p-phenylenediamine
|
|
gptkbp:bfsLayer
|
8
|