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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEBI:135381
CAS Number: 22089-22-1
DrugBank ID: DB12902
TTD ID: D0Y1UC
INTEDE ID: DR1650

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.