| 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