theodrenaline 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 2619 13460-98-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • theodrenaline
  • (+/-)-Theodrenaline
  • Molecular weight: 375.39
  • Formula: C17H21N5O5
  • CLOGP: -0.67
  • LIPINSKI: 0
  • HAC: 10
  • HDO: 4
  • TPSA: 131.16
  • ALOGS: -2.01
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ZAP70 61
kinase-selectivity-class AXL,CDK9,GRK2,MAP2K6,MAPK7,PRKDC,TEK 7
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
ATC C01CA23 CARDIOVASCULAR SYSTEM
CARDIAC THERAPY
CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
Adrenergic and dopaminergic agents
MeSH PA D000959 Antihypertensive Agents
MeSH PA D002317 Cardiovascular Agents
CHEBI has role CHEBI:35554 cardiovascular drug

Related Drugs by ATC class:

C01CA Adrenergic and dopaminergic agents 25 drugs
amezinium metilsulfatearbutaminecafedrinedimetofrinedobutaminedopaminedopexaminedroxidopaephedrineepinephrineetilefrinefenoldopam show all 25 →

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 9.97 acidic
pKa2 12.82 acidic
pKa3 13.39 acidic
pKa4 7.99 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07155 KEGG_DRUG
C0068955 UMLSCUI
CHEBI:135580 CHEBI
CHEMBL2107608 ChEMBL_ID
DB12927 DRUGBANK_ID
C002747 MESH_SUPPLEMENTAL_RECORD_UI
71857 PUBCHEM_CID
1670 INN_ID
RW8PD99T8G UNII
31958 RXNORM
005671 NDDF

Pharmaceutical products:

None