Details of the Drug

General Information of Drug (ID: DMAE6LK)

• Drug Name: Topetecan
• Synonyms: TOPOTECAN HYDROCHLORIDE; 119413-54-6; Topotecan Hcl; Hycamptamine hydrochloride; Topotecan (Hydrochloride); Topotecan monohydrochloride; UNII-956S425ZCY; Topotecan hydrochloride [USAN]; Nogitecan hydrochloride; DRG-0288; F S-104864-A; NSC-609699; NSC 609699; NSC609699; 956S425ZCY; (S)-10-((Dimethylamino)methyl)-4-ethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione monohydrochloride; NCGC00095189-01; AK-48920; DSSTox_RID_81248; DSSTox_CID_25952

Indication

Disease Entry	ICD 11	Status	REF
Small-cell lung cancer	2C25.Y	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 457.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C23H24ClN3O5
  IUPAC Name: (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione;hydrochloride
  Canonical SMILES: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5CN(C)C)O)N=C4C3=C2)O.Cl
  InChI: InChI=1S/C23H23N3O5.ClH/c1-4-23(30)16-8-18-20-12(9-26(18)21(28)15(16)11-31-22(23)29)7-13-14(10-25(2)3)19(27)6-5-17(13)24-20;/h5-8,27,30H,4,9-11H2,1-3H3;1H/t23-;/m0./s1
  InChIKey: DGHHQBMTXTWTJV-BQAIUKQQSA-N
• Cross-matching ID:
  PubChem CID: 60699
  ChEBI ID: CHEMBL1607
  CAS Number: 119413-54-6
  TTD ID: D0Z4XW
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Small-cell lung cancer
• ICD Disease Classification: 2C25.Y

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] FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020671.
• [2] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).