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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3217 | 314-13-6 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | AAK1,ACVR1B,ACVR2A,ACVR2B,ACVRL1,AKT1,AKT2,AKT3,ALK,AURKA,AURKB,AURKC,AXL,BLK,BMX,BRAF,BTK,CAMK2A,CAMK2B,CAMK2D,CDK1,CDK16,CDK19,CDK2,CDK4,CDK5,CDK9,CHUK,CLK4,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHA2,EPHB4,ERBB2,FGFR1,FGFR4,FLT1,FLT3,FLT4,GRK2,GRK3,GSK3A,GSK3B,IGF1R,IKBKB,INSR,IRAK1,ITK,JAK1,JAK2,JAK3,KDR,KIT,LCK,LYN,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K11,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K2,MAP4K3,MAP4K5,MAPK1,MAPK10,MAPK12,MAPK14,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MET,MTOR,NTRK1,NTRK2,PAK4,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PRKCD,PRKCZ,PRKDC,PTK2,SGK1,SIK2,SIK3,SRC,STK10,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2,ZAP70 | 118 | |||
| kinase-selectivity-class | ACVR2A,ACVR2B,AURKA,AURKB,AXL,BRAF,CAMK2D,CDK4,CDK9,DDR1,DYRK1B,DYRK3,EPHB4,ERBB2,GRK2,GSK3A,GSK3B,HIPK2,IKBKB,IRAK3,JAK2,MAP2K3,MAP2K6,MAP3K14,MAP3K2,MAP3K7,MAP4K1,MAPK1,MAPK12,MAPK7,MAPK8,MARK4,MTOR,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SIK2,STK10,STK33,SYK,TEK,TGFBR1,TTK,UHMK1,ULK1,ULK2,ZAP70 | 50 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | PARKE DAVIS |
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None
None
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| Source | Code | Description |
|---|---|---|
| MeSH PA | D004396 | Coloring Agents |
| CHEBI has role | CHEBI:38633 | sodium channel blocker |
| CHEBI has role | CHEBI:50905 | teratogenic agent |
| CHEBI has role | CHEBI:51217 | fluorochrome |
| CHEBI has role | CHEBI:77178 | histological dye |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 8.35 | acidic |
| pKa2 | 8.95 | acidic |
| pKa3 | 1.19 | Basic |
| pKa4 | 0.58 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Tyrosine-protein phosphatase non-receptor type 1 | Enzyme | IC50 | 5.89 | CHEMBL | |||||
| Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | Enzyme | Ki | 6.08 | CHEMBL | |||||
| Luciferin 4-monooxygenase | Enzyme | IC50 | 5.77 | CHEMBL | |||||
| Tyrosine-protein phosphatase 1 | Enzyme | IC50 | 5.92 | CHEMBL | |||||
| Vesicular glutamate transporter 3 | Transporter | Ki | 7.40 | CHEMBL | |||||
| Replicase polyprotein 1ab | Enzyme | IC50 | 6.70 | CHEMBL |
| ID | Source |
|---|---|
| 4019071 | VUID |
| N0000147338 | NUI |
| 4019071 | VANDF |
| C0015205 | UMLSCUI |
| CHEMBL1200712 | ChEMBL_ID |
| D005070 | MESH_DESCRIPTOR_UI |
| DB09361 | DRUGBANK_ID |
| 45PG892GO1 | UNII |
| 9409 | PUBCHEM_CID |
| 4191 | RXNORM |
| 002040 | NDDF |
| 002625 | NDDF |
| CHEBI:82467 | CHEBI |
| 45PG892GO1 | INXIGHT DRUGS |
None