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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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
UNII: 0V38NF6N89
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

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.