Details of the Drug

General Information of Drug (ID: DMWT5RS)

• Drug Name: Daniquidone
• Synonyms: Batracylin

Indication

Disease Entry	ICD 11	Status	REF
Lymphoma	2A80-2A86	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 249.27
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H11N3O
  IUPAC Name: 8-amino-10H-isoindolo[1,2-b]quinazolin-12-one
  Canonical SMILES: C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43
  InChI: InChI=1S/C15H11N3O/c16-10-5-6-13-9(7-10)8-18-14(17-13)11-3-1-2-4-12(11)15(18)19/h1-7H,8,16H2
  InChIKey: SRIOCKJKFXAKHK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71750
  ChEBI ID: CHEMBL114283
  CAS Number: 67199-66-0
  UNII: E780TX33D2
  DrugBank ID: DB12804
  TTD ID: D07BXE
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• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase I (TOP1)	TTGTQHC	TOP1_HUMAN	Modulator	[2]
DNA topoisomerase II (TOP2)	TT0IHXV	TOP2A_HUMAN ; TOP2B_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Lymphoma
• ICD Disease Classification: 2A80-2A86

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
DNA topoisomerase I (TOP1)	DTT	TOP1	6.65E-01	0.2	0.39

References

• [1] ClinicalTrials.gov (NCT00450502) Safety of Batracylin in Patients With Solid Tumors and Lymphomas. U.S. National Institutes of Health.
• [2] Pharmacogenetically driven patient selection for a first-in-human phase I trial of batracylin in patients with advanced solid tumors and lymphomas.Cancer Chemother Pharmacol.2013 Oct;72(4):917-23.