Details of the Drug

General Information of Drug (ID: DMI71FN)

• Drug Name: EDO-S101
• Synonyms: Tinostamustine; Minomustine; 1236199-60-2; UNII-29DKI2H2NY; 29DKI2H2NY; Tinostamustine [USAN]; SCHEMBL7915449; CHEMBL3989941; EDO-S-101; EDO-S 101; MolPort-046-033-566; EX-A1322; ZINC68244536; AKOS030526024; CS-6484; HY-101780; EDO-S101,1236199-60-2, EDO-S101,EDO S101,EDOS101; 1H-Benzimidazole-2-heptanamide, 5-(bis(2-chloroethyl)amino)-N-hydroxy-1-methyl-

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[1]
Haematological malignancy	2B33.Y	Phase 1	[1]

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 415.4
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H28Cl2N4O2
  IUPAC Name: 7-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]-N-hydroxyheptanamide
  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
  CAS Number: 1236199-60-2
  TTD ID: D0Q1SQ
• 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
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)