Details of the Drug

General Information of Drug (ID: DM4A3U7)

• Drug Name: DAVLB-HYDRAZIDE
• Synonyms: Desacetylvinblastine-3-carboxyhydrazide

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 768.9
  Logarithm of the Partition Coefficient (xlogp); 2.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C43H56N6O7
  IUPAC Name: methyl (13S,15S,17S)-17-ethyl-13-[(1R,9R,10S,11R,12R,19R)-12-ethyl-10-(hydrazinecarbonyl)-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
  Canonical SMILES: CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)NN)O)O)CC)OC)C(=O)OC)O
  InChI: InChI=1S/C43H56N6O7/c1-6-39(53)21-25-22-42(38(52)56-5,33-27(13-17-48(23-25)24-39)26-11-8-9-12-30(26)45-33)29-19-28-31(20-32(29)55-4)47(3)35-41(28)15-18-49-16-10-14-40(7-2,34(41)49)36(50)43(35,54)37(51)46-44/h8-12,14,19-20,25,34-36,45,50,53-54H,6-7,13,15-18,21-24,44H2,1-5H3,(H,46,51)/t25-,34+,35-,36-,39+,40-,41-,42+,43+/m1/s1
  InChIKey: PPRGGNQLPSVURC-KOTLKJBCSA-N
• Cross-matching ID:
  PubChem CID: 6918076
  TTD ID: D0K5CJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

References

• [1] The human immune response to KS1/4-desacetylvinblastine (LY256787) and KS1/4-desacetylvinblastine hydrazide (LY203728) in single and multiple dose clinical studies. Cancer Res. 1991 May 1;51(9):2286-90.
• [2] An Overview of Tubulin Inhibitors That Interact with the Colchicine Binding Site. Pharm Res. 2012 November; 29(11): 2943-2971.