Details of the Drug

General Information of Drug (ID: DM4FHQR)

• Drug Name: Canfosfamide
• Synonyms: Telcyta (TN)

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 3	[1]

• Affected Organisms: Humans and other mammals
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 787.5
  Logarithm of the Partition Coefficient (xlogp); -1.7
  Rotatable Bond Count (rotbonds); 25
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 13
• ADMET Property:
  Clearance: The drug present in the plasma can be removed from the body at the rate of 28.5 mL/min/kg [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 18 minutes [2]
  Vd: Fluid volume that would be required to contain the amount of drug present in the body at the same concentration as in the plasma 0.46 L/kg [2]
• Chemical Identifiers:
  Formula: C26H40Cl4N5O10PS
  IUPAC Name: (2S)-2-amino-5-[[(2R)-3-[2-[bis[bis(2-chloroethyl)amino]phosphoryloxy]ethylsulfonyl]-1-[[(R)-carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  Canonical SMILES: C1=CC=C(C=C1)[C@H](C(=O)O)NC(=O)[C@H](CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)NC(=O)CC[C@@H](C(=O)O)N
  InChI: InChI=1S/C26H40Cl4N5O10PS/c27-8-12-34(13-9-28)46(42,35(14-10-29)15-11-30)45-16-17-47(43,44)18-21(32-22(36)7-6-20(31)25(38)39)24(37)33-23(26(40)41)19-4-2-1-3-5-19/h1-5,20-21,23H,6-18,31H2,(H,32,36)(H,33,37)(H,38,39)(H,40,41)/t20-,21-,23+/m0/s1
  InChIKey: OJLHWPALWODJPQ-QNWVGRARSA-N
• Cross-matching ID:
  PubChem CID: 5312109
  ChEBI ID: CHEMBL135883
  CAS Number: 158382-37-7
  UNII: 1RS284BFUI
  DrugBank ID: DB04972
  TTD ID: D0A9SA
• 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
Glutathione S-transferase P (GSTP1)	TT40K12	GSTP1_HUMAN	Modulator	[1]

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
Glutathione S-transferase P (GSTP1)	DTT	GSTP1	4.46E-01	1.42E-02	0.03

References

• [1] Mechanism of glutathione transferase P1-1-catalyzed activation of the prodrug canfosfamide (TLK286, TELCYTA). Biochemistry. 2013 Nov 12;52(45):8069-78.
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds