Details of the Drug

General Information of Drug (ID: DMROS5K)

Drug Name
TEPA (possesses cytotoxic activity)
Synonyms
TEPA; Triethylenephosphoramide; Aphoxide; 545-55-1; Tris(1-aziridinyl)phosphine oxide; TAPO; Imperon fixer T; Triaziridinophosphine oxide; Triethylenephosphorotriamide; Triaziridinylphosphine oxide; Triethylene phophoramide; Triethylene phosphoramide; Phosphoric acid triethylene imide; Tris(1-aziridine)phosphine oxide; Triethylenephosphoric triamide; ENT 24915; Tris(aziridinyl)phosphine oxide; Tri-1-aziridinylphosphine oxide; Triethylenepyrophosphoramide; Tri(aziridin-1-yl)phosphine oxide; TEPA (VAN)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 173.15
Logarithm of the Partition Coefficient (xlogp) -0.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C6H12N3OP
IUPAC Name
1-[bis(aziridin-1-yl)phosphoryl]aziridine
Canonical SMILES
C1CN1P(=O)(N2CC2)N3CC3
InChI
InChI=1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
InChIKey
FYAMXEPQQLNQDM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11016
ChEBI ID
CHEBI:82546
CAS Number
545-55-1
TTD ID
D0NY6P

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cytochrome P450 2B6 (CYP2B6) OTOYO4S7 CP2B6_HUMAN Regulation of Drug Effects [2]
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Regulation of Drug Effects [2]
Cytochrome P450 3A5 (CYP3A5) OTSXFBXB CP3A5_HUMAN Regulation of Drug Effects [2]
Glutathione S-transferase A1 (GSTA1) OTA7K5XA GSTA1_HUMAN Regulation of Drug Effects [2]
Glutathione S-transferase P (GSTP1) OTLP0A0Y GSTP1_HUMAN Regulation of Drug Effects [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D1 receptor (D1R) DTT DRD1 8.99E-01 -0.06 -0.3
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-(Iodopropenyl)-octahydrobenzo[f]- and -[g]quinolines: synthesis and adrenergic and dopaminergic activity studies. J Med Chem. 1998 Oct 8;41(21):4165-70.
2 Polymorphisms of drug-metabolizing enzymes (GST, CYP2B6 and CYP3A) affect the pharmacokinetics of thiotepa and tepa. Br J Clin Pharmacol. 2009 Jan;67(1):50-60. doi: 10.1111/j.1365-2125.2008.03321.x. Epub 2008 Nov 17.