AI ASSISTANT
Ask DrugCentral
Explore drug properties, targets, and indications with answers grounded in DrugCentral.
Powered by DrugCentral + retrieval-augmented AIYour question
Ask in your own words. Each question is answered independently.
Explore sample questions
Select a question to fill the editor, then ask it or make it your own.
DrugCentral answer
Your answer will appear here. Open linked drug cards in a new tab to explore the source details.
About Ask DrugCentral
Ask DrugCentral helps you explore drug properties, biological targets, and indications using natural language. Sample questions offer starting points, and linked drug cards let you check the underlying records.
General architecture
- Ask a questionThe browser sends your question to the same-origin Django chat API.
- Retrieve and generateThe API forwards the question to the configured DrugCentral retrieval-augmented generation (RAG) service, which returns an AI-generated answer.
- Explore the answerThe app resolves cited drug-card names and displays the answer with links to drug records.
Using the assistant
Each request is independent; previous questions are not sent as conversation history. You can edit a sample before submitting, retry a failed request, or switch back to normal search. Drug links open in a new tab so your question and answer stay available.
Answers may contain mistakes or omit information. Verify details against DrugCentral records and original sources.
AI can make mistakes. Verify answers against the original sources before relying on them.
adenosine triphosphate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 91 | 56-65-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
An adenine nucleotide containing three phosphate groups esterified to the sugar moiety. In addition to its crucial roles in metabolism adenosine triphosphate is a neurotransmitter.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 2.67 mg/mL | Bocci G, Oprea TI, Benet LZ |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.626 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 15.488 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.086 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.129 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 22.710 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 17.550 | % | High | 1 |
| herg | hERG pIC50 | 4.415 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 2.032 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.767 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 20.410 | % | High | 1 |
| kinase-safety-class | ACVR2B,AURKA,AXL,BRAF,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,FLT3,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PIK3CD,PRKDC,SIK2,STK33,TEK | 27 | |||
| kinase-selectivity-class | AXL,CDK9,DYRK1B,EPHB4,ERBB2,GRK2,MAP2K6,MAP3K14,MAP3K2,MAPK7,PRKDC,STK33,SYK,TEK,TGFBR1,TTK | 16 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.372 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 72.946 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 72.080 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.508 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 32.670 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 25.177 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 87.500 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 45.120 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 826.038 | uM | High | 1 |
Approvals:
None
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
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 |
|---|---|---|---|---|---|---|
| Sudden hearing loss | 45.06 | 33.78 | 8 | 510 | 2261 | 110586520 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| MeSH PA | D000700 | Analgesics |
| MeSH PA | D000889 | Anti-Arrhythmia Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D014665 | Vasodilator Agents |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018689 | Sensory System Agents |
| MeSH PA | D058906 | Purinergic P1 Receptor Agonists |
| FDA MoA | N0000175788 | Adenosine Receptor Agonists |
| FDA EPC | N0000178375 | Adenosine Receptor Agonist |
| CHEBI has role | CHEBI:23357 | cofactor |
| CHEBI has role | CHEBI:27027 | micronutrient |
| CHEBI has role | CHEBI:50733 | nutraceutical |
| CHEBI has role | CHEBI:78675 | fundamental metabolite |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35620 | vasodilator agent |
| CHEBI has role | CHEBI:38070 | anti-arrhythmia drug |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:77746 | human metabolite |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Supraventricular arrhythmia | indication | 72654001 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.0 | acidic |
| pKa2 | 3.35 | acidic |
| pKa3 | 6.05 | acidic |
| pKa4 | 11.94 | acidic |
| pKa5 | 13.04 | acidic |
| pKa6 | 3.95 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| P2Y purinoceptor 4 | GPCR | Ki | 6.20 | CHEMBL | |||||
| P2X purinoceptor 1 | Ion channel | AGONIST | EC50 | 7.25 | IUPHAR | ||||
| Tyrosine-protein kinase JAK2 | Kinase | Kd | 5.89 | CHEMBL | |||||
| P2Y purinoceptor 1 | GPCR | EC50 | 6.07 | CHEMBL | |||||
| P2Y purinoceptor 2 | GPCR | AGONIST | EC50 | 7.10 | IUPHAR | ||||
| P2Y purinoceptor 11 | GPCR | EC50 | 5.17 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily M member 4 | Ion channel | BLOCKER | IC50 | 5.80 | IUPHAR | ||||
| P2Y purinoceptor 13 | GPCR | AGONIST | IC50 | 5.40 | IUPHAR | ||||
| MAP kinase-activated protein kinase 2 | Kinase | IC50 | 5.55 | CHEMBL | |||||
| Mitogen-activated protein kinase kinase kinase 7 | Kinase | Kd | 5.55 | CHEMBL | |||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 6.30 | IUPHAR | ||||
| Uracil nucleotide/cysteinyl leukotriene receptor | GPCR | AGONIST | EC50 | 7.43 | IUPHAR | ||||
| P2X purinoceptor 3 | Ion channel | Ki | 7.84 | PDSP | |||||
| Heat shock protein 75 kDa, mitochondrial | Cytosolic other | IC50 | 4.50 | CHEMBL | |||||
| Heat shock cognate 71 kDa protein | Cytosolic other | IC50 | 4.76 | CHEMBL | |||||
| Heat shock 70 kDa protein 1A | Cytosolic other | IC50 | 5.47 | CHEMBL | |||||
| CDGSH iron-sulfur domain-containing protein 1 | Membrane other | Kd | 5.72 | CHEMBL | |||||
| P2Y purinoceptor 1 | GPCR | EC50 | 5.55 | CHEMBL | |||||
| Endoplasmin | Membrane other | IC50 | 5.49 | CHEMBL | |||||
| Adenylate kinase 2 | Kinase | Ki | 4.05 | CHEMBL | |||||
| Transient receptor potential cation channel subfamily M member 4 | Ion channel | BLOCKER | IC50 | 6.10 | IUPHAR | ||||
| P2X purinoceptor 2 | Ion channel | AGONIST | EC50 | 5.85 | IUPHAR | ||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 6 | IUPHAR | ||||
| P2Y purinoceptor 4 | GPCR | AGONIST | EC50 | 6.30 | IUPHAR | ||||
| P2X purinoceptor 4 | Ion channel | AGONIST | EC50 | 5.30 | IUPHAR | ||||
| P2X purinoceptor 6 | Ion channel | AGONIST | EC50 | 6 | IUPHAR | ||||
| P2X purinoceptor 5 | Ion channel | AGONIST | EC50 | 6 | IUPHAR |
External reference:
| ID | Source |
|---|---|
| 4029344 | VUID |
| N0000180300 | NUI |
| D02300 | KEGG_DRUG |
| 296 | RXNORM |
| C0001480 | UMLSCUI |
| CHEBI:15422 | CHEBI |
| ADN | PDB_CHEM_ID |
| CHEMBL14249 | ChEMBL_ID |
| D000255 | MESH_DESCRIPTOR_UI |
| DB00171 | DRUGBANK_ID |
| 8L70Q75FXE | UNII |
| 5957 | PUBCHEM_CID |
| 4135 | MMSL |
| 57772 | MMSL |
| d00164 | MMSL |
| C0001443 | UMLSCUI |
| DB00640 | DRUGBANK_ID |
| 1713 | IUPHAR_LIGAND_ID |
| 60961 | PUBCHEM_CID |
| 4019507 | VANDF |
| 4029344 | VANDF |
| D000241 | MESH_DESCRIPTOR_UI |
| 003603 | NDDF |
| 004233 | NDDF |
| 004537 | NDDF |
| 004813 | NDDF |
| 108502004 | SNOMEDCT_US |
| 35431001 | SNOMEDCT_US |
| 76711004 | SNOMEDCT_US |
| CHEBI:16335 | CHEBI |
| 8L70Q75FXE | INXIGHT DRUGS |
Pharmaceutical products:
None