Details of the Drug

General Information of Drug (ID: DM6EIVM)

• Drug Name: Telomestatin
• Synonyms: YVSQVYZBDXIXCC-UHFFFAOYSA-N; AC1L9EVW; CHEMBL443683; CHEBI:29689; Telomestatin (TMS); gm95; SureCN10025441; SCHEMBL10025441; CHEBI:601758; BDBM213233; DCL000983

Indication

Disease Entry	ICD 11	Status	REF
Multiple myeloma	2A83	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 582.5
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 16
• Chemical Identifiers:
  Formula: C26H14N8O7S
  IUPAC Name: 4,8-dimethyl-3,7,11,15,19,23,27-heptaoxa-31-thia-33,34,35,36,37,38,39,40-octazanonacyclo[28.2.1.12,5.16,9.110,13.114,17.118,21.122,25.126,29]tetraconta-2(40),4,6(39),8,10(38),12,14(37),16,18(36),20,22(35),24,26(34),28,30(33)-pentadecaene
  Canonical SMILES: CC1=C2C3=NC(=C(O3)C)C4=NC(=CO4)C5=NC(=CO5)C6=NC(=CO6)C7=NC(=CO7)C8=NC(=CO8)C9=NC(CS9)C(=N2)O1
  InChI: InChI=1S/C26H14N8O7S/c1-9-17-24-30-14(6-39-24)21-28-12(4-37-21)19-27-11(3-35-19)20-29-13(5-36-20)22-31-15(7-38-22)26-32-16(8-42-26)23-33-18(10(2)40-23)25(34-17)41-9/h3-7,16H,8H2,1-2H3
  InChIKey: YVSQVYZBDXIXCC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 443590
  ChEBI ID: CHEBI:29689
  CAS Number: 265114-54-3
  TTD ID: D01GEO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Telomerase reverse transcriptase (TERT)	TTUJFD0	TERT_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Multiple myeloma
• ICD Disease Classification: 2A83

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Telomerase reverse transcriptase (TERT)	DTT	TERT	8.59E-10	-0.08	-0.33

References

• [1] Emerging therapies for multiple myeloma. Expert Opin Emerg Drugs. 2009 Mar;14(1):99-127.