Stem definition | Drug id | CAS RN |
---|---|---|
92 | 61-19-8 |
None
Property | Value | Reference |
---|---|---|
S (Water solubility) | 2.67 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
Source | Code | Description |
---|---|---|
MeSH PA | D000700 | Analgesics |
MeSH PA | D000889 | Anti-Arrhythmia Agents |
MeSH PA | D002317 | Cardiovascular Agents |
MeSH PA | D002491 | Central Nervous System Agents |
MeSH PA | D018377 | Neurotransmitter Agents |
MeSH PA | D018373 | Peripheral Nervous System Agents |
MeSH PA | D058913 | Purinergic Agonists |
MeSH PA | D058906 | Purinergic P1 Receptor Agonists |
MeSH PA | D018689 | Sensory System Agents |
MeSH PA | D014665 | Vasodilator Agents |
FDA MoA | N0000175788 | Adenosine Receptor Agonists |
FDA EPC | N0000178375 | Adenosine Receptor Agonist |
CHEBI has role | CHEBI:23357 | cofactor |
CHEBI has role | CHEBI:27027 | trace elements |
CHEBI has role | CHEBI:50733 | Dietary Supplement |
CHEBI has role | CHEBI:63332 | alkaline phosphatase inhibitors |
CHEBI has role | CHEBI:65056 | FBPase inhibitor |
CHEBI has role | CHEBI:65057 | adenosine A1 receptor agonists |
CHEBI has role | CHEBI:78675 | fundamental metabolites |
CHEBI has role | CHEBI:35620 | vasodilator agents |
CHEBI has role | CHEBI:38070 | antiarrhythmic agent |
CHEBI has role | CHEBI:77746 | Homo sapiens metabolite |
CHEBI has role | CHEBI:36047 | antibacterial drugs |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Cystic fibrosis of the lung | indication | 86555001 | |
Bronchiectasis | contraindication | 12295008 | DOID:9563 |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 1.31 | acidic |
pKa2 | 6.36 | acidic |
pKa3 | 12.46 | acidic |
pKa4 | 13.04 | acidic |
pKa5 | 3.95 | Basic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Fructose-1,6-bisphosphatase 1 | Enzyme | IC50 | 6.85 | CHEMBL | |||||
Proto-oncogene tyrosine-protein kinase Src | Kinase | IC50 | 7 | CHEMBL | |||||
Transient receptor potential cation channel subfamily M member 2 | Ion channel | IC50 | 4.15 | CHEMBL | |||||
Transient receptor potential cation channel subfamily M member 4 | Ion channel | GATING INHIBITOR | IC50 | 4.70 | IUPHAR | ||||
L-lactate dehydrogenase A chain | Enzyme | Kd | 3.19 | CHEMBL | |||||
2'-deoxynucleoside 5'-phosphate N-hydrolase 1 | Enzyme | Ki | 4.72 | CHEMBL | |||||
Fructose-1,6-bisphosphatase 1 | Enzyme | IC50 | 5.89 | CHEMBL | |||||
Pol polyprotein | Enzyme | Ki | 9.64 | CHEMBL | |||||
Alcohol dehydrogenase | Enzyme | Ki | 4.42 | CHEMBL | |||||
Ketopantoate reductase | Enzyme | Ki | 2.20 | CHEMBL | |||||
Adenylate kinase 2 | Kinase | Ki | 4.10 | CHEMBL | |||||
2'-deoxynucleoside 5'-phosphate N-hydrolase 1 | Enzyme | Ki | 4.40 | CHEMBL |
ID | Source |
---|---|
415SHH325A | UNII |
4018975 | VUID |
N0000170817 | NUI |
D02769 | KEGG_DRUG |
296 | RXNORM |
C0001465 | UMLSCUI |
CHEBI:16027 | CHEBI |
CHEBI:16335 | CHEBI |
A | PDB_CHEM_ID |
ADN | PDB_CHEM_ID |
CHEMBL752 | ChEMBL_ID |
6083 | PUBCHEM_CID |
DB00131 | DRUGBANK_ID |
335 | INN_ID |
2455 | IUPHAR_LIGAND_ID |
108502004 | SNOMEDCT_US |
35431001 | SNOMEDCT_US |
4864008 | SNOMEDCT_US |
54941006 | SNOMEDCT_US |
D000249 | MESH_DESCRIPTOR_UI |
C0001443 | UMLSCUI |
DB00640 | DRUGBANK_ID |
4018975 | VANDF |
4019507 | VANDF |
1085 | MMSL |
4135 | MMSL |
4136 | MMSL |
4137 | MMSL |
57772 | MMSL |
NOCODE | MMSL |
d00164 | MMSL |
D000241 | MESH_DESCRIPTOR_UI |
60961 | PUBCHEM_CID |
002392 | NDDF |
003603 | NDDF |
004537 | NDDF |
004813 | NDDF |
None