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) 0
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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) 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.