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

Stem definitionDrug idCAS RN
N-methylated xanthine derivatives 3497 50-39-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • protheobromine
  • cordabromin
  • cordaleromin
  • corodil
  • pantobromina
  • protheobromin
  • Molecular weight: 238.25
  • Formula: C10H14N4O3
  • CLOGP: -0.12
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 1
  • TPSA: 78.67
  • ALOGS: -1.19
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP3K21,MAPK7,PDK1,PDK2,PRKDC,SIK2,TEK 19
kinase-selectivity-class GRK2 1
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:

None

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 12.97 acidic
pKa2 1.83 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
C2698905 UMLSCUI
CHEBI:134969 CHEBI
CHEMBL85140 ChEMBL_ID
66120 PUBCHEM_CID
1666 INN_ID
8067S1388X UNII

Pharmaceutical products:

None