Details of the Drug

General Information of Drug (ID: DMQM2FH)

Drug Name

RRx-001

Synonyms

RRX-001; 925206-65-1; 2-BROMO-1-(3,3-DINITROAZETIDIN-1-YL)ETHAN-1-ONE; UNII-7RPW6SU9SC; 2-Bromo-1-(3,3-dinitroazetidin-1-yl)ethanone; 7RPW6SU9SC; RRx001; Ethanone, 2-bromo-1-(3,3-dinitro-1-azetidinyl)-; SCHEMBL2249018; CHEMBL3526802; MolPort-044-559-098; EX-A2006; BCP19228; 1-bromoacetyl-3,3-dinitroazetidine; ZINC34805177; s8405; DB12060; CS-5286; HY-16438; AS-53015

Indication

Disease Entry	ICD 11	Status	REF
Small-cell lung cancer	2C25.Y	Phase 3	[1]
Lymphoma	2A80-2A86	Phase 2	[2]
Neuroendocrine cancer	2B72.1	Phase 2	[3]
Non-small-cell lung cancer	2C25.Y	Phase 2	[3]
Ovarian epithelial cancer	2C73	Phase 2	[3]
Anaplastic glioma	2A00.0	Phase 1	[3]
Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]
------------------------------------------------------------------------------------


⏷ Show the Full List of Indication(s)

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

268.02

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C5H6BrN3O5
IUPAC Name: 2-bromo-1-(3,3-dinitroazetidin-1-yl)ethanone
Canonical SMILES: C1C(CN1C(=O)CBr)([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C5H6BrN3O5/c6-1-4(10)7-2-5(3-7,8(11)12)9(13)14/h1-3H2
InChIKey: JODKFOVZURLVTG-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15950826
CAS Number: 925206-65-1
UNII: 7RPW6SU9SC
DrugBank ID: DB12060
TTD ID: D0X8TS

Combinatorial Drugs (CBD)

Click to Jump to the Detailed CBD Information of This Drug

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Free radical (FRD)	TT8E7Z0	NOUNIPROTAC	Modulator	[4]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03699956) RRx-001 Sequentially With a Platinum Doublet or a Platinum Doublet in Third-Line or Beyond in Patients With Small Cell Lung Cancer (REPLATINUM). U.S. National Institutes of Health.
2	ClinicalTrials.gov (NCT02452970) RRx-001 in Second Line Treatment of Advanced Cholangiocarcinoma Prior to Readministration of First-Line Therapy.
3	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4	Dinitroazetidines are a novel class of anticancer agents and hypoxia-activated radiation sensitizers developed from highly energetic materials. Cancer Res. 2012 May 15;72(10):2600-8.