Details of the Drug

General Information of Drug (ID: DMWLTU2)

• Drug Name: PSMA-11 Ga-68
• Synonyms: UNII-ZJ0EKR6M10; ZJ0EKR6M10; Prostamedix; (68Ga)Hbed-psma; 68ga-psma-hbed-cc; (68ga)psma-hbed-cc; 68Ga-Psma-11; Gallium Ga-68 gozetotide; Gallium gozetotide Ga-68; Ga-Psma-hbed-CC Ga-68; Gallium (68Ga) gozetotide; Ga-68-Labeled PSMA-11; Ga-68 PSMA-11; PSMA-11 Ga 68; DKFZ-PSMA-11 GA-68; Gallium (68Ga) gozetotide [INN]; Glu-urea-Lys(ahx)-hbed-CC Ga-68; (68Ga)Glu-urea-Lys(Ahx)-HBED-CC; 68Ga-Labelled Glu-urea-Lys(ahx)-hbed-CC; Glu-NH-CO-NH-Lys-(ahx)-(68Ga(hbed-CC)); (68)Ga Labeled Glu-NH-CO-NH-Lys(ahx)-hbed-CC; Gallium Ga 68-labeled psma ligand Glu-urea-Lys(ahx)-hbed-CC; 1906894-20-9

Indication

Disease Entry	ICD 11	Status	REF
Diagnostic imaging	N.A.	Approved	[1]

• Affected Organisms: Humans and other mammals
• ATC Code:
  V09IX14: PSMA-11 Ga-68
  V09IX: Other diagnostic radiopharmaceuticals for tumour detection
  V09I: TUMOUR DETECTION
  V09: DIAGNOSTIC RADIOPHARMACEUTICALS
  V: VARIOUS
• Drug Type: Radioactive diagnostic agent
• #Ro5 Violations (Lipinski): 4:
  Molecular Weight; 1011.9
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 33
  Hydrogen Bond Donor Count; 9
  Hydrogen Bond Acceptor Count; 19
• ADMET Property:
  Elimination: About 14% of the total injected dose is excreted in the urine within two hours following intravenous administration [2]
  Half-life: The concentration or amount of drug in body reduced by one-half in 68 minutes [2]
• Chemical Identifiers:
  Formula: C44H59GaN6O17
  IUPAC Name: 2-[[5-[3-[[6-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-6-oxohexyl]amino]-3-oxopropyl]-2-oxidophenyl]methyl-[2-[[5-(2-carboxyethyl)-2-oxidophenyl]methyl-(carboxylatomethyl)amino]ethyl]amino]acetate;gallium-68(3+);hydron
  Canonical SMILES: [H+].C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)[O-])CC(=O)[O-])CC(=O)[O-])[O-].[68Ga+3]
  InChI: InChI=1S/C44H62N6O17.Ga/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);/q;+3/p-3/t32-,33-;/m0./s1/i;1-2
  InChIKey: AEBYHKKMCWUMKX-LNTZDJBBSA-K
• Cross-matching ID:
  PubChem CID: 154572876
  CAS Number: 1906894-20-9
  UNII: ZJ0EKR6M10
  DrugBank ID: DB16019
  TTD ID: DBG46D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glutamate carboxypeptidase II (GCPII)	TT9G4N0	FOLH1_HUMAN	Binder	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Diagnostic imaging
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Glutamate carboxypeptidase II (GCPII)	DTT	FOLH1	1.40E-09	2.08	2.21

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [2] FDA Approved Drug Products: Gallium Ga 68 PSMA-11 Injection, for intravenous use