Details of the Drug

General Information of Drug (ID: DMBOZPH)

Drug Name
RX-5902
Synonyms Microtubule-cell cycle inhibitor (oral, cancer), Rexahn; Piperazine G2/M-specific cell cycle and Bcl inhibitors (oral,cancer), Rexahn
Indication
Disease Entry ICD 11 Status REF
Triple negative breast cancer 2C60-2C65 Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 441.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C22H24FN5O4
IUPAC Name
4-(3,5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
Canonical SMILES
COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC
InChI
InChI=1S/C22H24FN5O4/c1-30-16-11-15(12-17(13-16)31-2)27-6-8-28(9-7-27)22(29)26-20-21(32-3)25-18-5-4-14(23)10-19(18)24-20/h4-5,10-13H,6-9H2,1-3H3,(H,24,26,29)
InChIKey
KAKPGJJRYRYSTP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11619093
CAS Number
888478-45-3
TTD ID
D0S1TI
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
ATP-dependent RNA helicase DDX5 (DDX5) TTOTSW1 DDX5_HUMAN Modulator [3]
Phosphorylated p68 RNA helicase (pDDX5) TTZKPVC DDX5_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02003092) RX-5902 Treatment of Subjects With Solid Tumors. U.S. National Institutes of Health.
3 Company report (Rexahn)