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