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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3605 | 60084-10-8 |
| Molecule | Description |
|---|---|
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Synonyms:
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| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 1.10 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 2.40 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.47 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 5.90 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK1,NTRK2,PDK1,PDK2,PRKDC,TEK | 21 | |||
| kinase-selectivity-class | AXL,CDK9,CHUK,GRK2,MAP2K6,MAP3K21,PDK1 | 7 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
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| Source | Code | Description |
|---|---|---|
| ATC | L01XX18 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS OTHER ANTINEOPLASTIC AGENTS Other antineoplastic agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000964 | Antimetabolites, Antineoplastic |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D009676 | Noxae |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:50266 | prodrug |
| CHEBI has role | CHEBI:53746 | EC 1.1.1.205 (IMP dehydrogenase) inhibitor |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.54 | acidic |
| pKa2 | 13.16 | acidic |
| pKa3 | 13.51 | acidic |
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| ID | Source |
|---|---|
| D06130 | KEGG_DRUG |
| C3652605 | UMLSCUI |
| CHEBI:90239 | CHEBI |
| TIZ | PDB_CHEM_ID |
| CHEMBL108358 | ChEMBL_ID |
| DB13243 | DRUGBANK_ID |
| C033706 | MESH_SUPPLEMENTAL_RECORD_UI |
| 457954 | PUBCHEM_CID |
| 5220 | INN_ID |
| ULJ82834RE | UNII |
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