Details of the Drug

General Information of Drug (ID: DMNE9Z0)

• Drug Name: T-0128
• Synonyms: M salt; MEN-4901; Glycylglycyl-N-[3-[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yloxy]propyl]glycinamide compound with dextran carboxymethyl ether sodiu

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1716.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 27
  Hydrogen Bond Donor Count; 16
  Hydrogen Bond Acceptor Count; 28
• Chemical Identifiers:
  Formula: C87H170N6O26
  IUPAC Name: 2-acetamidoacetamide;butane;cyclohexa-2,4-dien-1-one;(2R,3S,4S,5R,6S)-2-ethyl-6-[[(3S,4S,5R,6S)-6-[[(2R,3S,4S,5R,6R)-6-hydroperoxy-3,4-dihydroxy-5-methoxyoxan-2-yl]methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]oxane-3,4,5-triol;(3S)-3-ethyl-3-hydroxyoxan-2-one;4-ethylquinoline;N-(3-methoxypropyl)propanamide;N-methylacetamide;N-methylbutan-1-amine;hydrate
  Canonical SMILES: CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCCCNC.CC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC2[C@H]([C@@H]([C@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OO)OC)O)O)O)O)O)O)O)O.CCC1=CC=NC2=CC=CC=C12.CCC(=O)NCCCOC.CC[C@@]1(CCCOC1=O)O.CC(=O)NC.CC(=O)NCC(=O)N.C1C=CC=CC1=O.O
  InChI: InChI=1S/C20H36O16.C11H11N.C7H15NO2.C7H12O3.C6H6O.C5H13N.C4H8N2O2.6C4H10.C3H7NO.H2O/c1-3-6-9(21)12(24)15(27)18(33-6)31-4-7-10(22)13(25)16(28)19(34-7)32-5-8-11(23)14(26)17(30-2)20(35-8)36-29;1-2-9-7-8-12-11-6-4-3-5-10(9)11;1-3-7(9)8-5-4-6-10-2;1-2-7(9)4-3-5-10-6(7)8;7-6-4-2-1-3-5-6;1-3-4-5-6-2;1-3(7)6-2-4(5)8;6*1-3-4-2;1-3(5)4-2;/h6-29H,3-5H2,1-2H3;3-8H,2H2,1H3;3-6H2,1-2H3,(H,8,9);9H,2-5H2,1H3;1-4H,5H2;6H,3-5H2,1-2H3;2H2,1H3,(H2,5,8)(H,6,7);6*3-4H2,1-2H3;1-2H3,(H,4,5);1H2/t6-,7?,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18+,19+,20-;;;7-;;;;;;;;;;;/m1..0.........../s1
  InChIKey: HYSLQFLGTWXGPE-JCQKILSGSA-N
• Cross-matching ID:
  PubChem CID: 129631910
  TTD ID: D0V5JO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Inhibitor	[2]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014468)
• [2] Complete regression of xenografted human carcinomas by camptothecin analogue-carboxymethyl dextran conjugate (T-0128). Cancer Res. 2000 Jun 1;60(11):2988-95.