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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives | 2795 | 66-75-1 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 1.32 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IRAK1,ITK,JAK1,JAK2,KIT,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK7,MAPK9,MARK4,MET,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 | 60 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,GRK2,MAP3K14,MAPK7,PLK1,PLK2,PLK3,PLK4,SIK2,STK33,TEK | 14 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Sept. 13, 1962 | FDA |
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None
None
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| Source | Code | Description |
|---|---|---|
| ATC | L01AD08 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS ALKYLATING AGENTS Nitrosoureas |
| MeSH PA | D000477 | Alkylating Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D018906 | Antineoplastic Agents, Alkylating |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Chronic lymphoid leukemia, disease | indication | 92814006 | |
| Chronic myeloid leukemia | indication | 92818009 | DOID:8552 |
| Polycythemia vera | indication | 109992005 | |
| Non-Hodgkin's lymphoma | indication | 118601006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.42 | acidic |
| pKa2 | 2.96 | Basic |
None
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| ID | Source |
|---|---|
| 4018098 | VUID |
| N0000146436 | NUI |
| D06265 | KEGG_DRUG |
| 4018098 | VANDF |
| C0041920 | UMLSCUI |
| CHEBI:9884 | CHEBI |
| CHEMBL1488 | ChEMBL_ID |
| DB00791 | DRUGBANK_ID |
| D014499 | MESH_DESCRIPTOR_UI |
| 6194 | PUBCHEM_CID |
| 1351 | INN_ID |
| W7KQ46GJ8U | UNII |
| 10996 | RXNORM |
| 3099 | MMSL |
| 5655 | MMSL |
| d01340 | MMSL |
| 002634 | NDDF |
| 17243005 | SNOMEDCT_US |
| 7621 | IUPHAR_LIGAND_ID |
None