Details of the Drug

General Information of Drug (ID: DM9DXRL)

Drug Name

ICRF-154

Synonyms

Ethyliminum; 1506-47-4; Icrf-154; 1,2-Bis(3,5-dioxopiperazin-1-yl)ethane; UNII-QML51S42CD; QML51S42CD; 4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione; 4,4'-ethane-1,2-diyldipiperazine-2,6-dione; NSC-129942; NSC 129942; AI3-52846; AC1Q6LVJ; 2, 4,4'-ethylenedi-; AC1L2IM2; salor-int l163228-1ea; SCHEMBL728996; CHEMBL2361164; CTK4C6725; DTXSID40164579; MolPort-002-546-041; GBLIGNUYGOFIKS-UHFFFAOYSA-N; ZINC19367672; NSC129942; STK700954; 2, 4,4'-(1,2-ethanediyl)bis-; AKOS000646070; MCULE-3427635262; API0009072

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

254.24

Logarithm of the Partition Coefficient (xlogp)

-1.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C10H14N4O4
IUPAC Name: 4-[2-(3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
Canonical SMILES: C1C(=O)NC(=O)CN1CCN2CC(=O)NC(=O)C2
InChI: InChI=1S/C10H14N4O4/c15-7-3-13(4-8(16)11-7)1-2-14-5-9(17)12-10(18)6-14/h1-6H2,(H,11,15,16)(H,12,17,18)
InChIKey: GBLIGNUYGOFIKS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72760
CAS Number: 1506-47-4
TTD ID: D05HUX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The catalytic DNA topoisomerase II inhibitor ICRF-193 and all-trans retinoic acid cooperatively induce granulocytic differentiation of acute promyelocytic leukemia cells: candidate drugs for chemo-differentiation therapy against acute promyelocytic leukemia. Exp Hematol. 2002 Nov;30(11):1273-82.