Details of the Drug

General Information of Drug (ID: DM63OD7)

Drug Name
Pifithrin-alpha
Synonyms P53 inhibitor, Univ of Illinois; PFT-alpha; PFT-beta; Pifithrin compounds, Quark; Pifithrin-beta
Indication
Disease Entry ICD 11 Status REF
Toxicity N.A. Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 367.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C16H19BrN2OS
IUPAC Name
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone;hydrobromide
Canonical SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=C(CCCC3)SC2=N.Br
InChI
InChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
InChIKey
HAGVCKULCLQGRF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9929138
ChEBI ID
CHEMBL556353
CAS Number
63208-82-2
TTD ID
D02NYK
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cellular tumor antigen p53 (TP53) TT7SBF5 P53_HUMAN Inhibitor [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Apoptotic protease-activating factor 1 (APAF1) OTJWIVY0 APAF_HUMAN Gene/Protein Processing [3]
Cadherin-1 (CDH1) OTFJMXPM CADH1_HUMAN Gene/Protein Processing [4]
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [5]
Endothelin receptor type B (EDNRB) OTLLZV3P EDNRB_HUMAN Gene/Protein Processing [6]
Kit ligand (KITLG) OTB9AVQ4 SCF_HUMAN Gene/Protein Processing [6]
Mast/stem cell growth factor receptor Kit (KIT) OTHUY3VZ KIT_HUMAN Gene/Protein Processing [6]
Melanocyte-stimulating hormone receptor (MC1R) OTB95LIK MSHR_HUMAN Gene/Protein Processing [6]
Microphthalmia-associated transcription factor (MITF) OT6XJCZH MITF_HUMAN Gene/Protein Processing [6]
Mitogen-activated protein kinase 1 (MAPK1) OTH85PI5 MK01_HUMAN Gene/Protein Processing [3]
Mitogen-activated protein kinase 3 (MAPK3) OTCYKGKO MK03_HUMAN Gene/Protein Processing [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Toxicity
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Cellular tumor antigen p53 (TP53) DTT TP53 7.01E-01 0.06 0.09
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 800012866)
2 An evaluation of the ability of pifithrin-alpha and -beta to inhibit p53 function in two wild-type p53 human tumor cell lines. Mol Cancer Ther. 2005 Sep;4(9):1369-77.
3 Nano-sized iron particles may induce multiple pathways of cell death following generation of mistranscripted RNA in human corneal epithelial cells. Toxicol In Vitro. 2017 Aug;42:348-357.
4 The vicious cycle between ferritinophagy and ROS production triggered EMT inhibition of gastric cancer cells was through p53/AKT/mTor pathway. Chem Biol Interact. 2020 Sep 1;328:109196. doi: 10.1016/j.cbi.2020.109196. Epub 2020 Jul 18.
5 Inhibition of p53, p21 and Bax by pifithrin-alpha does not affect UV induced apoptotic response in CS-B cells. DNA Repair (Amst). 2003 Aug 12;2(8):891-900. doi: 10.1016/s1568-7864(03)00088-0.
6 The essential role of p53 in hyperpigmentation of the skin via regulation of paracrine melanogenic cytokine receptor signaling. J Biol Chem. 2009 Feb 13;284(7):4343-53. doi: 10.1074/jbc.M805570200. Epub 2008 Dec 18.