Details of the Drug

General Information of Drug (ID: DMJN7MY)

• Drug Name: ED-110

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 519.5
  Logarithm of the Partition Coefficient (xlogp); -1.8
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 6
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C26H21N3O9
  IUPAC Name: 7,20-dihydroxy-19-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2,4(9),7,10,12,15,17(22),20-nonaene-5,14-dione
  Canonical SMILES: C1C(C(=CC2=C1C3=C4C(=C5C6=C(C(=O)CC(=C6)O)N=C5C3=N2)C=NC4=O)O)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O
  InChI: InChI=1S/C26H21N3O9/c30-6-15-22(34)23(35)24(36)25(38-15)9-3-8-12(4-13(9)32)28-21-17(8)18-11(5-27-26(18)37)16-10-1-7(31)2-14(33)19(10)29-20(16)21/h1,4-5,9,15,22-25,30-32,34-36H,2-3,6H2/t9?,15-,22-,23+,24-,25+/m1/s1
  InChIKey: GEFUXTHVYBRRRD-FKKAOLSPSA-N
• Cross-matching ID:
  PubChem CID: 135705573
  CAS Number: 139112-73-5
  TTD ID: D0T6VU

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]

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
DNA topoisomerase I (TOP1)	DTT	TOP1	6.65E-01	0.2	0.39

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 800002530)
• [2] ED-110, a novel indolocarbazole, prevents the growth of experimental tumors in mice. Jpn J Cancer Res. 1993 May;84(5):574-81.