Details of the Drug

General Information of Drug (ID: DM5G43H)

• Drug Name: Denibulin
• Synonyms: Denibulin hydrochloride; ANG-600 series; ANG-615; MN-029; Second generation VTAs, Angiogene Pharmaceuticals; Second generation VTAs, MediciNova; Vascular targeting agents (benzimidazole carbamates), Angiogene Pharmaceuticals; Vascular targeting agents (benzimidazole carbamates), MediciNova

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 385.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C18H19N5O3S
  IUPAC Name: methyl N-[6-[4-[[(2S)-2-aminopropanoyl]amino]phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
  Canonical SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)N
  InChI: InChI=1S/C18H19N5O3S/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25)/t10-/m0/s1
  InChIKey: GAOHLWCIAJNSEE-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 11661758
  CAS Number: 284019-34-7
  DrugBank ID: DB05932
  TTD ID: D0X1BJ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tubulin beta (TUBB)	TTYFKSZ	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 800022182)
• [2] An Overview of Tubulin Inhibitors That Interact with the Colchicine Binding Site. Pharm Res. 2012 November; 29(11): 2943-2971.