prednimustine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
antineoplastic, alkylating agents, (beta-chloroethyl)amine derivatives 2244 29069-24-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • prednimustine
  • prednisolone chlorambucil ester
  • sterecyt
  • stereocyt
Ester of CHLORAMBUCIL and PREDNISOLONE used as a combination alkylating agent and synthetic steroid to treat various leukemias and other neoplasms. It causes gastrointestinal and bone marrow toxicity.
  • Molecular weight: 646.65
  • Formula: C35H45Cl2NO6
  • CLOGP: 5.79
  • LIPINSKI: 2
  • HAC: 7
  • HDO: 2
  • TPSA: 104.14
  • ALOGS: -6
  • ROTB: 13

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
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

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
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

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 12.65 acidic
pKa2 13.36 acidic
pKa3 4.68 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
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

Pharmaceutical products:

None