Details of the Drug

General Information of Drug (ID: DM8K5Z6)

• Drug Name: Motexafin lutetium
• Synonyms: Lutetium texaphyrin; Lu-Tex; Motexafin lutetium < USAN; Optrin (Pharmacyclics); PCI-0123; Antrin (Pharmacyclics, US, US); Lutrin (National Cancer Institute (US), US; Pharmacyclics, , , JP); (PB-7-11-233'2'4)-Bis(acetato-O)[9,10-diethyl-20,21-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,15-dimethyl-8,11-imino-3,6:16,13-dinitrilo-1,18-benzodiazacycloeicosine-5,14-dipropanolato-N1,N18,N23,N24

Indication

Disease Entry	ICD 11	Status	REF
Artery stenosis	BD52	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight; 1184.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 28
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 20
• Chemical Identifiers:
  Formula: C52H74LuN5O15
  IUPAC Name: 3-[4,5-diethyl-24-(3-hydroxypropyl)-16,17-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-10,23-dimethyl-13,20,25,26-tetraza-27-azanidapentacyclo[20.2.1.13,6.18,11.014,19]heptacosa-1(25),2,4,6,8(26),9,11,13,15,17,19,21,23-tridecaen-9-yl]propan-1-ol;lutetium(3+);diacetate;hydrate
  Canonical SMILES: CCC1=C(C2=CC3=NC(=CN=C4C=C(C(=CC4=NC=C5C(=C(C(=N5)C=C1[N-]2)CCCO)C)OCCOCCOCCOC)OCCOCCOCCOC)C(=C3CCCO)C)CC.CC(=O)[O-].CC(=O)[O-].O.[Lu+3]
  InChI: InChI=1S/C48H66N5O10.2C2H4O2.Lu.H2O/c1-7-35-36(8-2)40-28-42-38(12-10-14-55)34(4)46(53-42)32-50-44-30-48(63-26-24-61-22-20-59-18-16-57-6)47(62-25-23-60-21-19-58-17-15-56-5)29-43(44)49-31-45-33(3)37(11-9-13-54)41(52-45)27-39(35)51-40;2*1-2(3)4;;/h27-32,54-55H,7-26H2,1-6H3;2*1H3,(H,3,4);;1H2/q-1;;;+3;/p-2
  InChIKey: WIQKYZYFTAEWBF-UHFFFAOYSA-L
• Cross-matching ID:
  PubChem CID: 3081907
  CAS Number: 156436-90-7
  DrugBank ID: DB05296
  TTD ID: D0U3RV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prostate specific antigen (KLK3)	TTS78AZ	KLK3_HUMAN	Modulator	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Artery stenosis
• ICD Disease Classification: BD52

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Prostate specific antigen (KLK3)	DTT	KLK3	2.01E-01	-0.04	-0.09

References

• [1] Motexafin lutetium-photodynamic therapy of prostate cancer: short- and long-term effects on prostate-specific antigen. Clin Cancer Res. 2008 Aug 1;14(15):4869-76.