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| Stem definition | Drug id | CAS RN |
|---|---|---|
| quaternary ammonium compounds | 2335 | 3546-41-6 |
| Dose | Unit | Route |
|---|---|---|
| 0.35 | g | O |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 5 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK4,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FLT3,GRK2,GSK3B,IGF1R,IKBKB,INSR,ITK,JAK1,JAK2,JAK3,KIT,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K21,MAP3K7,MAP3K8,MAP4K1,MAP4K3,MAP4K5,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK2,PAK4,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIM1,PIM2,PRKCD,PRKCZ,PRKDC,SGK1,SIK2,SIK3,SRC,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 86 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,ALK,AXL,BRAF,CAMK2D,CDK4,CSF1R,DDR1,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,MAP2K6,MAP3K11,MAP3K7,MAP4K1,MAPK12,MAPK7,MARK4,MET,PDK4,SIK2,SIK3,STK10,STK33,SYK,TEK,TTK,ULK1,ZAP70 | 32 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | PARKE DAVIS |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | P02CX01 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTHELMINTICS ANTINEMATODAL AGENTS Other antinematodals |
| MeSH PA | D000871 | Anthelmintics |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000977 | Antiparasitic Agents |
| CHEBI has role | CHEBI:35443 | anthelminthic drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:149553 | anticoronaviral agent |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.97 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Androgen receptor | Nuclear hormone receptor | IC50 | 6.72 | CHEMBL | |||||
| Casein kinase I isoform alpha | Kinase | Kd | 9 | CHEMBL | |||||
| Synaptojanin-2 | Enzyme | IC50 | 5.90 | CHEMBL | |||||
| Synaptojanin-1 | Enzyme | IC50 | 6 | CHEMBL | |||||
| Serine hydroxymethyltransferase, mitochondrial | Enzyme | IC50 | 5.59 | CHEMBL | |||||
| Fumarate reductase | Enzyme | IC50 | 6.30 | CHEMBL |
| ID | Source |
|---|---|
| D00489 | KEGG_DRUG |
| 7187-62-4 | SECONDARY_CAS_RN |
| C0072804 | UMLSCUI |
| CHEMBL1201303 | ChEMBL_ID |
| CHEMBL1908377 | ChEMBL_ID |
| DB06816 | DRUGBANK_ID |
| C024631 | MESH_SUPPLEMENTAL_RECORD_UI |
| 6B9991FLU3 | UNII |
| 5281035 | PUBCHEM_CID |
| 35163 | RXNORM |
| 002984 | NDDF |
| 007377 | NDDF |
| 44330008 | SNOMEDCT_US |
| 707543009 | SNOMEDCT_US |
| D011774 | MESH_DESCRIPTOR_UI |
| CHEBI:8688 | CHEBI |
| 6B9991FLU3 | INXIGHT DRUGS |
None