| Stem definition | Drug id | CAS RN |
|---|---|---|
| antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives | 2244 | 29069-24-7 |
None
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.09 mg/mL | Bocci G, Oprea TI, Benet LZ |
| S (Water solubility) | 0.22 mg/mL | Bocci G, Oprea TI, Benet LZ |
None
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | L01AA08 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS ALKYLATING AGENTS Nitrogen mustard analogues |
| FDA MoA | N0000000236 | Alkylating Activity |
| FDA MoA | N0000175450 | Corticosteroid Hormone Receptor Agonists |
| FDA EPC | N0000175558 | Alkylating Drug |
| FDA EPC | N0000175576 | Corticosteroid |
| MeSH PA | D000477 | Alkylating Agents |
| MeSH PA | D000970 | Antineoplastic Agents |
| MeSH PA | D018906 | Antineoplastic Agents, Alkylating |
| MeSH PA | D009676 | Noxae |
| MeSH PA | D006728 | Hormones |
| MeSH PA | D000893 | Anti-Inflammatory Agents |
| MeSH PA | D018931 | Antineoplastic Agents, Hormonal |
| MeSH PA | D005938 | Glucocorticoids |
| CHEBI has role | CHEBI:35472 | anti-inflammatory drugs |
| CHEBI has role | CHEBI:35610 | antineoplastic agents |
| CHEBI has role | CHEBI:35703 | Xenobiotic |
| CHEBI has role | CHEBI:35705 | immunosuppressive agents |
| CHEBI has role | CHEBI:37962 | adrenergic agents |
| CHEBI has role | CHEBI:49103 | drug metabolites |
| CHEBI has role | CHEBI:78298 | environmental contaminants |
| CHEBI has role | CHEBI:50903 | carcinogen |
| CHEBI has role | CHEBI:88188 | allergenic drug |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 12.65 | acidic |
| pKa2 | 13.36 | acidic |
| pKa3 | 4.68 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000167429 | NUI |
| D05602 | KEGG_DRUG |
| 4017988 | VANDF |
| 4018769 | VANDF |
| C0032949 | UMLSCUI |
| CHEBI:82524 | CHEBI |
| CHEBI:8378 | CHEBI |
| CHEBI:28830 | CHEBI |
| TUA | PDB_CHEM_ID |
| CBL | PDB_CHEM_ID |
| CHEMBL2103751 | ChEMBL_ID |
| D011238 | MESH_DESCRIPTOR_UI |
| DB12832 | DRUGBANK_ID |
| 3518 | INN_ID |
| 9403SIO2S8 | UNII |
| 34457 | PUBCHEM_CID |
| DB00860 | DRUGBANK_ID |
| DB00291 | DRUGBANK_ID |
| 2346 | RXNORM |
| 4405 | MMSL |
| 5347 | MMSL |
| 59710 | MMSL |
| 71849 | MMSL |
| d00084 | MMSL |
| d00188 | MMSL |
| 002155 | NDDF |
| 002632 | NDDF |
| 005392 | NDDF |
| 116601002 | SNOMEDCT_US |
| 387249003 | SNOMEDCT_US |
| 46009007 | SNOMEDCT_US |
| 52388000 | SNOMEDCT_US |
| C0032950 | UMLSCUI |
| C0008163 | UMLSCUI |
| 535 | INN_ID |
| 603 | INN_ID |
| 5755 | PUBCHEM_CID |
| 2708 | PUBCHEM_CID |
| D011239 | MESH_DESCRIPTOR_UI |
| D002699 | MESH_DESCRIPTOR_UI |
None