Details of the Drug

General Information of Drug (ID: DMA4DMQ)

Drug Name
Tinostamustine
Synonyms
Tinostamustine; EDO-S101; 1236199-60-2; EDO-S 101; EDO-S-101; Tinostamustine [USAN]; Tinostamustine(EDO-S101); 29DKI2H2NY; 7-(5-(bis(2-chloroethyl)amino)-1-methyl-1H-benzo[d]imidazol-2-yl)-N-hydroxyheptanamide; 1H-Benzimidazole-2-heptanamide, 5-[bis(2-chloroethyl)amino]-N-hydroxy-1-methyl-; 7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide; Minomustine; 1H-Benzimidazole-2-heptanamide, 5-(bis(2-chloroethyl)amino)-N-hydroxy-1-methyl-; starbld0018955; UNII-29DKI2H2NY; Tinostamustine (USAN/INN); TINOSTAMUSTINE [INN]; SCHEMBL7915449; TINOSTAMUSTINE [WHO-DD]; CHEMBL3989941; BCP20331; EX-A1322; BDBM50569838; AKOS030526024; CS-6484; DB15147; SB19172; BE170657; MS-27198; HY-101780; S8769; D11182; E76854; 7-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}-N-hydroxyheptanamide
Indication
Disease Entry ICD 11 Status REF
Multiple myeloma 2A83 Phase 1/2 [1]
Drug Type
Small molecule
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C19H28Cl2N4O2
Canonical SMILES
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCCCCC(=O)NO
InChI
InChI=1S/C19H28Cl2N4O2/c1-24-17-9-8-15(25(12-10-20)13-11-21)14-16(17)22-18(24)6-4-2-3-5-7-19(26)23-27/h8-9,14,27H,2-7,10-13H2,1H3,(H,23,26)
InChIKey
GISXTRIGVCKQBX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46836227
ChEBI ID
CHEMBL3989941
TTD ID
D39TVC
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histone deacetylase (HDAC) TTBH0VX NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03687125) Phase 1/2 Open-label Trial of Tinostamustine Conditioning and Autologous Stem Cell Transplantation for Salvage Treatment in Relapsed / Refractory Multiple Myeloma (TITANIUM 1). U.S.National Institutes of Health.
2 The first-in-class alkylating deacetylase inhibitor molecule tinostamustine shows antitumor effects and is synergistic with radiotherapy in preclinical models of glioblastoma. J Hematol Oncol. 2018 Feb 27;11(1):32.