Details of the Drug

General Information of Drug (ID: DMKW4AJ)

• Drug Name: Tasidotin hydrochloride
• Synonyms: Tasidotin HCl; BSF 223651; ILX 651; LU 223651; Tasidotin hydrochloride (USAN)

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 643.3
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C32H59ClN6O5
  IUPAC Name: (2S)-N-tert-butyl-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
  Canonical SMILES: CC(C)[C@@H](C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)NC(=O)[C@H](C(C)C)N(C)C.Cl
  InChI: InChI=1S/C32H58N6O5.ClH/c1-19(2)24(33-28(40)25(20(3)4)35(10)11)30(42)36(12)26(21(5)6)31(43)38-18-14-16-23(38)29(41)37-17-13-15-22(37)27(39)34-32(7,8)9;/h19-26H,13-18H2,1-12H3,(H,33,40)(H,34,39);1H/t22-,23-,24-,25-,26-;/m0./s1
  InChIKey: OOKIODJYZSVHDO-QMYFOHRPSA-N
• Cross-matching ID:
  PubChem CID: 11479259
  CAS Number: 623174-20-9
  TTD ID: D0J4MY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin beta (TUBB)	TTYFKSZ	NOUNIPROTAC	Binder	[2]

References

• [1] Phase I and pharmacokinetic study of tasidotin hydrochloride (ILX651), a third-generation dolastatin-15 analogue, administered weekly for 3 weeks every 28 days in patients with advanced solid tumors.Clin Cancer Res. 2006 Sep 1;12(17):5207-15.
• [2] Intracellular activation and deactivation of tasidotin, an analog of dolastatin 15: correlation with cytotoxicity. Mol Pharmacol. 2009 Jan;75(1):218-26.