Details of the Drug

General Information of Drug (ID: DMBD4K3)

Drug Name
Selinexor
Synonyms Xpovio; KPT 330; KPT-330; KPT-330(Selinexor); KPT330;Selinexor; 1393477-72-9; 31TZ62FO8F; CHEMBL3545185; SCHEMBL14678327; Selinexor; Selinexor (KPT-330); Selinexor [USAN:INN]; Tube706; UNII-31TZ62FO8F
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Approved [1]
Liposarcoma 2B59 Phase 3 [2]
Neuroendocrine cancer 2B72.1 Phase 3 [2]
Acute myeloid leukaemia 2A60 Phase 2 [3]
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 2 [4]
Diffuse large B-cell lymphoma 2A81 Phase 2 [3]
Recurrent glioblastoma 2A00.00 Phase 2 [2]
Solid tumour/cancer 2A00-2F9Z Phase 2 [5]
⏷ Show the Full List of Indication(s)
ATC Code
L01XX66: Selinexor
L01XX: Other antineoplastic agents
L01X: OTHER ANTINEOPLASTIC AGENTS
L01: ANTINEOPLASTIC AGENTS
L: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 443.3
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C17H11F6N7O
IUPAC Name
(Z)-3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyrazin-2-ylprop-2-enehydrazide
Canonical SMILES
C1=CN=C(C=N1)NNC(=O)/C=C\\N2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H11F6N7O/c18-16(19,20)11-5-10(6-12(7-11)17(21,22)23)15-26-9-30(29-15)4-1-14(31)28-27-13-8-24-2-3-25-13/h1-9H,(H,25,27)(H,28,31)/b4-1-
InChIKey
DEVSOMFAQLZNKR-RJRFIUFISA-N
Cross-matching ID
PubChem CID
71481097
CAS Number
1393477-72-9
UNII
31TZ62FO8F
DrugBank ID
DB11942
TTD ID
D00LNW
INTEDE ID
DR1472
ACDINA ID
D01420
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
Exportin-1 (XPO1) TTCJUR4 XPO1_HUMAN Inhibitor [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [7]
UDP-glucuronosyltransferase 1A1 (UGT1A1) DEYGVN4 UD11_HUMAN Substrate [7]
Glutathione S-transferase alpha-1 (GSTA1) DE4ZHS1 GSTA1_HUMAN Substrate [7]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Bcl-2-binding component 3, isoforms 3/4 (BBC3) OTUAXDAY BBC3B_HUMAN Gene/Protein Processing [8]
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Gene/Protein Processing [8]
E3 ubiquitin-protein ligase Mdm2 (MDM2) OTOVXARF MDM2_HUMAN Gene/Protein Processing [8]
Histone H2AX (H2AX) OT18UX57 H2AX_HUMAN Gene/Protein Processing [8]
Myc proto-oncogene protein (MYC) OTPV5LUK MYC_HUMAN Gene/Protein Processing [8]
Tumor protein p73 (TP73) OT0LUO47 P73_HUMAN Gene/Protein Processing [8]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Selinexor (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Siponimod DM2R86O Major Additive immunosuppressive effects by the combination of Selinexor and Siponimod. Multiple sclerosis [8A40] [9]
Ocrelizumab DMEZ2KH Moderate Additive immunosuppressive effects by the combination of Selinexor and Ocrelizumab. Multiple sclerosis [8A40] [10]
Ozanimod DMT6AM2 Major Additive immunosuppressive effects by the combination of Selinexor and Ozanimod. Multiple sclerosis [8A40] [11]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Sodium lauryl sulfate E00464 3423265 Emulsifying agent; Modified-release agent; Penetration agent; Solubilizing agent; Surfactant; lubricant
Carmellose sodium E00625 Not Available Disintegrant
Magnesium stearate E00208 11177 lubricant
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Hydrophobic colloidal silica E00285 24261 Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline E00698 Not Available Adsorbent; Suspending agent; Diluent
⏷ Show the Full List of 6 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Selinexor 20mg tablet 20mg Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 ClinicalTrials.gov (NCT04349098) Evaluation of Activity and Safety of Oral Selinexor in Participants With Severe COVID-19 Infection. U.S. National Institutes of Health.
5 ClinicalTrials.gov (NCT02025985) Phase II Study of KPT-330 (Selinexor) in Female Patients With Advanced Gynaecologic Malignancies. U.S. National Institutes of Health.
6 Inhibition of CRM1-dependent nuclear export sensitizes malignant cells to cytotoxic and targeted agents. Semin Cancer Biol. 2014 August; 0: 62-73.
7 FDA label of Selinexor. The 2020 official website of the U.S. Food and Drug Administration.
8 The synergy of the XPO1 inhibitors combined with the BET inhibitor INCB057643 in high-grade B-cell lymphoma via downregulation of MYC expression. Sci Rep. 2023 Oct 29;13(1):18554. doi: 10.1038/s41598-023-45721-z.
9 Cerner Multum, Inc. "Australian Product Information.".
10 Product Information. Ocrevus (ocrelizumab). Genentech, South San Francisco, CA.
11 Cerner Multum, Inc. "UK Summary of Product Characteristics.".