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| Stem definition | Drug id | CAS RN |
|---|---|---|
| insecticides, anthelminthics, pesticides etc., phosphorous derivatives | 3249 | 258516-89-1 |
None
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IGF1R,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 59 | |||
| kinase-selectivity-class | AXL,BRAF,CDK9,DDR1,EPHB4,FLT3,GRK2,MAP2K6,MAP3K1,MAPK7,STK33,SYK,TEK,ZAP70 | 14 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 12, 2008 | FDA |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D006993 | Hypnotics and Sedatives |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35469 | antidepressant |
| CHEBI has role | CHEBI:35480 | analgesic |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:38070 | anti-arrhythmia drug |
| CHEBI has role | CHEBI:62868 | hepatoprotective agent |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| CHEBI has role | CHEBI:73336 | vulnerary |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Sedation as Adjunct to Anesthesia | indication | ||
| Apnea | contraindication | 1023001 | |
| Hypovolemia | contraindication | 28560003 | |
| Low blood pressure | contraindication | 45007003 | |
| Decreased respiratory function | contraindication | 80954004 | |
| Myocardial dysfunction | contraindication | 233928007 | |
| Hypoxia | contraindication | 389086002 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.39 | acidic |
| pKa2 | 7.44 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| GABA-A receptor | Ion channel | POSITIVE ALLOSTERIC MODULATOR | DRUG LABEL | DRUG LABEL |
| ID | Source |
|---|---|
| 4028230 | VUID |
| N0000177942 | NUI |
| D04257 | KEGG_DRUG |
| 4028230 | VANDF |
| 4028231 | VANDF |
| C2370726 | UMLSCUI |
| CHEBI:135193 | CHEBI |
| CHEMBL1201766 | ChEMBL_ID |
| CHEMBL2021422 | ChEMBL_ID |
| DB06716 | DRUGBANK_ID |
| C472965 | MESH_SUPPLEMENTAL_RECORD_UI |
| 3038498 | PUBCHEM_CID |
| 7475 | IUPHAR_LIGAND_ID |
| 8696 | INN_ID |
| 258516-87-9 | SECONDARY_CAS_RN |
| LZ257RZP7K | UNII |
| 813021 | RXNORM |
| 159531 | MMSL |
| 26076 | MMSL |
| d07370 | MMSL |
| 013314 | NDDF |
| 013315 | NDDF |
| 714706007 | SNOMEDCT_US |
| 764594003 | SNOMEDCT_US |
| A1LZU | PDB_CHEM_ID |
None