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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3976 | 525-79-1 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AURKB,AXL,BRAF,CAMK2D,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,FLT3,GRK1,GRK2,GRK3,ITK,JAK1,MAP2K6,MAP3K10,MAP3K21,MAPK7,MARK4,PRKDC,SIK2,SIK3,STK33,TEK,TTK,ULK1 | 31 | |||
| kinase-selectivity-class | AURKA,BRAF,CAMK2B,CAMK2D,CDK9,DYRK1B,EGFR,ERBB2,GRK2,MAP3K10,MAP3K21,MAPK7,MARK4,STK33 | 14 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D006133 | Growth Substances |
| MeSH PA | D010937 | Plant Growth Regulators |
| CHEBI has role | CHEBI:23530 | cytokinin |
| CHEBI has role | CHEBI:176497 | geroprotector |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.38 | acidic |
| pKa2 | 6.37 | Basic |
| pKa3 | 1.08 | Basic |
| pKa4 | 0.46 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Endochitinase | Enzyme | Ki | 5.49 | CHEMBL |
| ID | Source |
|---|---|
| N0000166986 | NUI |
| C0049579 | UMLSCUI |
| CHEBI:27407 | CHEBI |
| CHEMBL228792 | ChEMBL_ID |
| DB11336 | DRUGBANK_ID |
| D007701 | MESH_DESCRIPTOR_UI |
| 3830 | PUBCHEM_CID |
| P39Y9652YJ | UNII |
| 16054 | RXNORM |
| NOCODE | MMSL |
| 007754 | NDDF |
| H35 | PDB_CHEM_ID |
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