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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 55 | 97-44-9 |
| Molecule | Description |
|---|---|
|
Synonyms:
|
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| Dose | Unit | Route |
|---|---|---|
| 0.50 | g | V |
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 62 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,MAPK8,PIK3CB,PIK3CD,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 25 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | A07AX02 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Other intestinal antiinfectives |
| ATC | G01AB01 | GENITO URINARY SYSTEM AND SEX HORMONES GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS WITH CORTICOSTEROIDS Arsenic compounds |
| ATC | P01CD02 | ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS ANTIPROTOZOALS AGENTS AGAINST LEISHMANIASIS AND TRYPANOSOMIASIS Arsenic compounds |
| MeSH PA | D000890 | Anti-Infective Agents |
| CHEBI has role | CHEBI:70868 | antileishmanial agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Amebic infection | indication | 111910009 | DOID:9181 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.84 | acidic |
| pKa2 | 8.4 | acidic |
| pKa3 | 9.83 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| 14 kDa phosphohistidine phosphatase | Enzyme | IC50 | 4 | CHEMBL |
| ID | Source |
|---|---|
| D07110 | KEGG_DRUG |
| C0050436 | UMLSCUI |
| CHEBI:135135 | CHEBI |
| CHEMBL1330792 | ChEMBL_ID |
| DB13268 | DRUGBANK_ID |
| C005284 | MESH_SUPPLEMENTAL_RECORD_UI |
| 371 | INN_ID |
| 806529YU1N | UNII |
| 1985 | PUBCHEM_CID |
| 005948 | NDDF |
| 22236007 | SNOMEDCT_US |
| 421639009 | SNOMEDCT_US |
None