Details of the Drug

General Information of Drug (ID: DMNBPKS)

Drug Name
Iofolastat I-124
Synonyms Trofex (TN)
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 531.3
Logarithm of the Partition Coefficient (xlogp) -1
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 6
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C19H26IN3O7
IUPAC Name
(2S)-2-[[(1S)-1-carboxy-5-[(4-(123I)iodanylphenyl)methylamino]pentyl]carbamoylamino]pentanedioic acid
Canonical SMILES
C1=CC(=CC=C1CNCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)[123I]
InChI
InChI=1S/C19H26IN3O7/c20-13-6-4-12(5-7-13)11-21-10-2-1-3-14(17(26)27)22-19(30)23-15(18(28)29)8-9-16(24)25/h4-7,14-15,21H,1-3,8-11H2,(H,24,25)(H,26,27)(H,28,29)(H2,22,23,30)/t14-,15-/m0/s1/i20-4
InChIKey
OXUUJYOSVPMNKP-ZANJDRPYSA-N
Cross-matching ID
PubChem CID
25194767
CAS Number
949575-24-0
DrugBank ID
DB12514
TTD ID
D04KRV

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 Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 02 Neoplasm
Disease Class ICD-11: 2C82 Prostate cancer
The Studied Tissue Prostate
The Studied Disease Prostate cancer [ICD-11:2C82]
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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026421)
2 123I-MIP-1072, a small-molecule inhibitor of prostate-specific membrane antigen, is effective at monitoring tumor response to taxane therapy. J Nucl Med. 2011 Jul;52(7):1087-93.