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
CHEMBL82546
CAS Number
545-55-1
TTD ID
D0NY6P
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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 Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D1 receptor (D1R) TTZFYLI DRD1_HUMAN Inhibitor [1]
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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.