Details of the Drug

General Information of Drug (ID: DMHB2C3)

Drug Name
Trofosfamide
Synonyms
Trofosfamide; Trophosphamide; Ixoten; 22089-22-1; Trofosfamid; Triphosphamide; Trilofosfamida; Trifosfamide; Trisfosfamide; Trilophosphamide; Trofosfamidum; Z 4828; Trofosfamide [INN]; ASTA Z 4828; Trofosfamida [Spanish]; A-4828; Trofosfamidum [INN-Latin]; NSC 109723; Trofosfamido [INN-Spanish]; MLS002704177; CCRIS 4442; Z-4828; EINECS 244-770-8; Trofosfamide (INN); BRN 0532530; N,N,3-Tris(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine 2-oxide; N,N-3'-Tris(2-chloroethyl)tetrahydro-2H-1,3,2-oxazaphosphorin-2-amine, 2-oxide
Indication
Disease Entry ICD 11 Status REF
Non-hodgkin lymphoma 2B33.5 Approved [1]
ATC Code
L01AA07: Trofosfamide
L01AA: Nitrogen mustard analogues
L01A: ALKYLATING AGENTS
L01: ANTINEOPLASTIC AGENTS
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 323.6
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Bioavailability
99% of drug becomes completely available to its intended biological destination(s) [2]
Chemical Identifiers
Formula
C9H18Cl3N2O2P
IUPAC Name
N,N,3-tris(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-amine
Canonical SMILES
C1CN(P(=O)(OC1)N(CCCl)CCCl)CCCl
InChI
InChI=1S/C9H18Cl3N2O2P/c10-2-6-13-5-1-9-16-17(13,15)14(7-3-11)8-4-12/h1-9H2
InChIKey
UMKFEPPTGMDVMI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65702
ChEBI ID
CHEMBL135381
CAS Number
22089-22-1
UNII
H64JRU6GJ0
DrugBank ID
DB12902
TTD ID
D0Y1UC
INTEDE ID
DR1650
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [3]
Cytochrome P450 2B6 (CYP2B6) DEPKLMQ CP2B6_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Critical Evaluation of Human Oral Bioavailability for Pharmaceutical Drugs by Using Various Cheminformatics Approaches
3 Investigation of the major human hepatic cytochrome P450 involved in 4-hydroxylation and N-dechloroethylation of trofosfamide. Cancer Chemother Pharmacol. 1999;44(4):327-34.