Details of the Drug

General Information of Drug (ID: DM50Z4U)

• Drug Name: Milataxel
• Synonyms: M-10; MAC-321; Milataxel (oral); TL-00139; TL-139; Milataxel (oral), Taxolog; MAC-321 (injectable), Taxolog/Wyeth; MAC-321 (oral), Taxolog/Wyeth; TL-00139 (injectable), Taxolog/Wyeth; TL-00139 (oral), Taxolog/Wyeth; TL-139 (injectable), Taxolog/Wyeth; TL-139 (oral), Taxolog/Wyeth

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 853.9
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 16
• Chemical Identifiers:
  Formula: C44H55NO16
  IUPAC Name: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-propanoyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  Canonical SMILES: CCC(=O)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)OC(=O)[C@@H]([C@H](C6=CC=CO6)NC(=O)OC(C)(C)C)O)C)O)C)OC(=O)C
  InChI: InChI=1S/C44H55NO16/c1-10-29(47)58-27-19-28-43(21-56-28,60-23(3)46)34-36(59-37(51)24-15-12-11-13-16-24)44(54)20-26(22(2)30(41(44,7)8)32(48)35(50)42(27,34)9)57-38(52)33(49)31(25-17-14-18-55-25)45-39(53)61-40(4,5)6/h11-18,26-28,31-34,36,48-49,54H,10,19-21H2,1-9H3,(H,45,53)/t26-,27-,28+,31-,32+,33+,34-,36-,42+,43-,44+/m0/s1
  InChIKey: XIVMHSNIQAICTR-UQYHODNASA-N
• Cross-matching ID:
  PubChem CID: 6918589
  CAS Number: 352425-37-7
  UNII: J41Q4S20GS
  DrugBank ID: DB12334
  TTD ID: D0JI8B

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin (TUB)	TTML2WA	NOUNIPROTAC	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Solid tumour/cancer
• ICD Disease Classification: 2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tubulin (TUB)	DTT	NO-GeName	7.94E-02	0.35	0.43

References

• [1] ClinicalTrials.gov (NCT00685204) An Efficacy Study of Milataxel (TL139) Administered Orally for Malignant Mesothelioma. U.S. National Institutes of Health.
• [2] J Clin Oncol 28, 2010 (suppl; abstr e13075).