AI ASSISTANT
Ask DrugCentral
Explore drug information in your own words.
Type a question in the search bar above to get started. Each question is answered independently.
Try a sample question
Select a question to fill the search bar, then submit it or edit it first.
AI can make mistakes. Verify answers against the original sources before relying on them.
theobromine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2618 | 83-67-0 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
3,7-Dimethylxanthine. The principle alkaloid in Theobroma cacao (the cacao bean) and other plants. A xanthine alkaloid that is used as a bronchodilator and as a vasodilator. It has a weaker diuretic activity than THEOPHYLLINE and is also a less powerful stimulant of smooth muscle. It has practically no stimulant effect on the central nervous system. It was formerly used as a diuretic and in the treatment of angina pectoris and hypertension. (From Martindale, The Extra Pharmacopoeia, 30th ed, pp1318-9)
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 4 | g | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.33 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 80 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,JAK1,MAP3K21,MAP3K7,MAP4K1,MAPK7,MARK4,MTOR,NTRK2,PDK1,PDK2,PIK3CD,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,TEK,ULK1 | 38 | |||
| kinase-selectivity-class | CDK9,GRK2 | 2 | |||
| 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)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Adulterated product | 234.10 | 158.65 | 30 | 236 | 736 | 42620333 |
| Accidental death | 162.76 | 158.65 | 26 | 240 | 3057 | 42618012 |
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Adulterated product | 278.61 | 78.71 | 34 | 314 | 1121 | 110587830 |
| Accidental death | 205.55 | 78.71 | 31 | 317 | 4978 | 110583973 |
| Toxicity to various agents | 148.53 | 78.71 | 55 | 293 | 480500 | 110108451 |
| Drug interaction | 80.02 | 78.71 | 36 | 312 | 500147 | 110088804 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | C03BD01 | CARDIOVASCULAR SYSTEM DIURETICS LOW-CEILING DIURETICS, EXCL. THIAZIDES Xanthine derivatives |
| ATC | R03DA07 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines |
| ATC | R03DA57 | RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Xanthines |
| MeSH PA | D001993 | Bronchodilator Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018927 | Anti-Asthmatic Agents |
| MeSH PA | D019141 | Respiratory System Agents |
| CHEBI has role | CHEBI:35523 | bronchodilator agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:71232 | adenosine receptor antagonist |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:78295 | food component |
| CHEBI has role | CHEBI:85234 | human blood serum metabolite |
Related Drugs by ATC class:
R03DA Xanthines 9 drugs
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 level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.99 | acidic |
| pKa2 | 2.43 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
None
External reference:
| ID | Source |
|---|---|
| 4019132 | VUID |
| N0000147383 | NUI |
| 4019132 | VANDF |
| C0039763 | UMLSCUI |
| CHEBI:28946 | CHEBI |
| 37T | PDB_CHEM_ID |
| CHEMBL1114 | ChEMBL_ID |
| DB01412 | DRUGBANK_ID |
| D013805 | MESH_DESCRIPTOR_UI |
| 5429 | PUBCHEM_CID |
| OBD445WZ5P | UNII |
| 10437 | RXNORM |
| 000611 | NDDF |
| 75371004 | SNOMEDCT_US |
| OBD445WZ5P | INXIGHT DRUGS |
Pharmaceutical products:
None