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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 627 | 28319-77-9 |
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| 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,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 | 58 | |||
| kinase-selectivity-class | AURKA,AXL,BRAF,CAMK2D,CDK1,CDK2,CDK4,CDK6,CDK9,CHUK,EPHB4,ERBB2,GRK2,IRAK1,IRAK3,MAP2K6,MAP3K21,MAPK7,PIK3CD,PRKDC,STK33,SYK,TEK,ZAP70 | 24 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | N07AX02 | NERVOUS SYSTEM OTHER NERVOUS SYSTEM DRUGS PARASYMPATHOMIMETICS Other parasympathomimetics |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D008082 | Lipotropic Agents |
| MeSH PA | D018697 | Nootropic Agents |
| MeSH PA | D057847 | Lipid Regulating Agents |
| CHEBI has role | CHEBI:25512 | neurotransmitter |
| CHEBI has role | CHEBI:33284 | nutrient |
| CHEBI has role | CHEBI:50904 | allergen |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:75772 | <em>Saccharomyces cerevisiae </em> metabolite |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:76971 | <em>Escherichia coli</em> metabolite |
| CHEBI has role | CHEBI:77746 | human metabolite |
| CHEBI has role | CHEBI:83056 | <em>Daphnia magna</em> metabolite |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:50370 | parasympatholytic |
| CHEBI has role | CHEBI:63726 | neuroprotective agent |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.2 | acidic |
| pKa2 | 13.63 | acidic |
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| ID | Source |
|---|---|
| N0000168626 | NUI |
| D07349 | KEGG_DRUG |
| 2449 | RXNORM |
| C0017889 | UMLSCUI |
| CHEBI:16870 | CHEBI |
| CHEMBL6067974 | ChEMBL_ID |
| DB04660 | DRUGBANK_ID |
| 657272 | PUBCHEM_CID |
| 5203 | INN_ID |
| 60M22SGW66 | UNII |
| 4436 | MMSL |
| 4875 | MMSL |
| d03159 | MMSL |
| 002058 | NDDF |
| 006975 | NDDF |
| 111156002 | SNOMEDCT_US |
| 65123005 | SNOMEDCT_US |
| C0008405 | UMLSCUI |
| CH5 | PDB_CHEM_ID |
| DB00122 | DRUGBANK_ID |
| 305 | PUBCHEM_CID |
| 4017699 | VANDF |
| D002794 | MESH_DESCRIPTOR_UI |
| CHEBI:15354 | CHEBI |
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