Stem definition | Drug id | CAS RN |
---|---|---|
nicotinic acid or nicotinoyl alcohol derivatives | 1912 | 50-65-7 |
Dose | Unit | Route |
---|---|---|
2 | g | O |
Property | Value | Reference |
---|---|---|
BDDCS (Biopharmaceutical Drug Disposition Classification System) | 4 | Benet LZ, Broccatelli F, Oprea TI |
S (Water solubility) | 0.01 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
MRTD (Maximum Recommended Therapeutic Daily Dose) | 87.34 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
Date | Agency | Company | Orphan |
---|---|---|---|
None | FDA | BAYER PHARMS |
None
None
None
None
Source | Code | Description |
---|---|---|
ATC | P02DA01 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTHELMINTICS ANTICESTODALS Salicylic acid derivatives |
MeSH PA | D000871 | Anthelmintics |
MeSH PA | D000890 | Anti-Infective Agents |
MeSH PA | D000923 | Anticestodal Agents |
MeSH PA | D000969 | Antinematodal Agents |
MeSH PA | D000977 | Antiparasitic Agents |
MeSH PA | D000980 | Antiplatyhelmintic Agents |
MeSH PA | D008975 | Molluscacides |
MeSH PA | D010575 | Pesticides |
CHEBI has role | CHEBI:33904 | molluscicides |
CHEBI has role | CHEBI:35442 | antiparasitic drugs |
CHEBI has role | CHEBI:35443 | anthelmintics |
CHEBI has role | CHEBI:68495 | Type I cell-death inducers |
CHEBI has role | CHEBI:87183 | signal transducer and activator of transcription 3 inhibitors |
CHEBI has role | CHEBI:149553 | anticoronaviral drug |
CHEBI has role | CHEBI:167183 | piscicides |
Disease | Relation | SNOMED_ID | DOID |
---|---|---|---|
Taenia Infection | indication | ||
Diphyllobothrium Infections | indication | ||
Hymenolepiasis Infections | indication | ||
Dipylidiasis Infections | off-label use |
None
None
Dissociation level | Dissociation constant | Type (acidic/basic) |
---|---|---|
pKa1 | 6.39 | acidic |
pKa2 | 8.6 | acidic |
None
None
Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 | Enzyme | EC50 | 7.05 | WOMBAT-PK | |||||
Mast/stem cell growth factor receptor Kit | Kinase | IC50 | 4.56 | CHEMBL | |||||
Epidermal growth factor receptor | Kinase | IC50 | 4.98 | CHEMBL | |||||
Proto-oncogene tyrosine-protein kinase Src | Kinase | IC50 | 5 | CHEMBL | |||||
Vascular endothelial growth factor receptor 2 | Kinase | IC50 | 4.64 | CHEMBL | |||||
Tyrosine-protein kinase JAK2 | Kinase | IC50 | 5 | CHEMBL | |||||
Angiopoietin-1 receptor | Kinase | IC50 | 4.17 | CHEMBL | |||||
Tyrosine-protein kinase Lyn | Kinase | IC50 | 4.62 | CHEMBL | |||||
Fibroblast growth factor receptor 1 | Kinase | IC50 | 4.88 | CHEMBL | |||||
Aurora kinase A | Kinase | IC50 | 4.27 | CHEMBL | |||||
RAC-alpha serine/threonine-protein kinase | Kinase | IC50 | 4.23 | CHEMBL | |||||
Glycogen synthase kinase-3 beta | Kinase | IC50 | 4.11 | CHEMBL | |||||
3-phosphoinositide-dependent protein kinase 1 | Kinase | IC50 | 4.08 | CHEMBL | |||||
Potassium channel subfamily T member 1 | Ion channel | ACTIVATOR | EC50 | 5.54 | IUPHAR | ||||
Anoctamin-1 | Ion channel | IC50 | 7.55 | CHEMBL | |||||
Signal transducer and activator of transcription 3 | Transcription factor | IC50 | 6.60 | CHEMBL | |||||
Replicase polyprotein 1ab | Enzyme | IC50 | 4.40 | CHEMBL |
ID | Source |
---|---|
4018264 | VUID |
N0000146594 | NUI |
D00436 | KEGG_DRUG |
4018264 | VANDF |
C0028017 | UMLSCUI |
CHEBI:7553 | CHEBI |
CHEMBL1448 | ChEMBL_ID |
DB06803 | DRUGBANK_ID |
D009534 | MESH_DESCRIPTOR_UI |
4477 | PUBCHEM_CID |
8494 | IUPHAR_LIGAND_ID |
1532 | INN_ID |
8KK8CQ2K8G | UNII |
227721 | RXNORM |
4944 | MMSL |
5172 | MMSL |
d01126 | MMSL |
002990 | NDDF |
387334008 | SNOMEDCT_US |
5975000 | SNOMEDCT_US |
None