Details of the Drug

General Information of Drug (ID: DMFELMQ)

Drug Name
AMEP
Synonyms
(Aminomethyl)phosphonic acid; 1066-51-9; AMINOMETHYLPHOSPHONIC ACID; Aminomethanephosphonic acid; AMeP; 1-Aminomethylphosphonic acid; 1-Aminomethylphosphonate; Amino methane phosphoric acid; Caswell No. 037C; Phosphaglycine; (1-Aminomethyl)phosphonic acid; Phosphonic acid, aminomethyl-; UNII-90825O5C1U; Phosphonic acid, (aminomethyl)-; Aminomethylphosphonic acid (AMPA); NSC 30076; EPA Pesticide Chemical Code 207800; CHEBI:28812; MGRVRXRGTBOSHW-UHFFFAOYSA-N; (Aminomethyl)phosphonic acid, 99%; MFCD00008105; GEO-00169; 90825O5C1U
Indication
Disease Entry ICD 11 Status REF
Melanoma 2C30 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 111.04
Logarithm of the Partition Coefficient (xlogp) -4.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
CH6NO3P
IUPAC Name
aminomethylphosphonic acid
Canonical SMILES
C(N)P(=O)(O)O
InChI
InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5)
InChIKey
MGRVRXRGTBOSHW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14017
ChEBI ID
CHEBI:28812
CAS Number
1066-51-9
TTD ID
D08XBF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Integrin alpha-5/beta-1 (ITGA5/B1) TTH4QIS ITA5_HUMAN-ITB1_HUMAN Modulator [2]
Integrin alpha-V/beta-3 (ITGAV/B3) TT69TQN ITAV_HUMAN-ITB3_HUMAN Modulator [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2 (PLCG2) OTGVC9MY PLCG2_HUMAN Gene/Protein Processing [3]
14-3-3 protein theta OTWG7F3H 1433T_HUMAN Gene/Protein Processing [3]
Alpha-synuclein (SNCA) OTPWC1MR SYUA_HUMAN Gene/Protein Processing [4]
Anaphase-promoting complex subunit 13 (ANAPC13) OTQWXHEJ APC13_HUMAN Gene/Protein Processing [3]
Annexin A1 (ANXA1) OT5OFDJC ANXA1_HUMAN Gene/Protein Processing [5]
Apoptosis regulator BAX (BAX) OTAW0V4V BAX_HUMAN Gene/Protein Processing [4]
Apoptosis regulator Bcl-2 (BCL2) OT9DVHC0 BCL2_HUMAN Gene/Protein Processing [4]
Apoptotic protease-activating factor 1 (APAF1) OTJWIVY0 APAF_HUMAN Gene/Protein Processing [4]
Bcl-2-like protein 11 (BCL2L11) OTNQQWFJ B2L11_HUMAN Gene/Protein Processing [4]
Bcl-2-related protein A1 (BCL2A1) OTWRYSNA B2LA1_HUMAN Gene/Protein Processing [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Melanoma
ICD Disease Classification 2C30
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Integrin alpha-5/beta-1 (ITGA5/B1) DTT ITGA5-ITGB1 2.88E-04 0.22 1.11
Integrin alpha-V/beta-3 (ITGAV/B3) DTT ITGAV-ITGB3 5.75E-01 -0.24 -0.5
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Pre-EMP-tive strike against GBM. SciBX 7(14); doi:10.1038/scibx.2014.389. April 10 2014
2 Gene electrotransfer of plasmid AMEP, an integrin-targeted therapy, has antitumor and antiangiogenic action in murine B16 melanoma.Gene Ther.2015 Jul;22(7):578-90.
3 Glyphosate-based herbicides at low doses affect canonical pathways in estrogen positive and negative breast cancer cell lines. PLoS One. 2019 Jul 11;14(7):e0219610. doi: 10.1371/journal.pone.0219610. eCollection 2019.
4 Use of human neuroblastoma SH-SY5Y cells to evaluate glyphosate-induced effects on oxidative stress, neuronal development and cell death signaling pathways. Environ Int. 2020 Feb;135:105414. doi: 10.1016/j.envint.2019.105414. Epub 2019 Dec 23.
5 Glyphosate and Aminomethylphosphonic Acid (AMPA) Modulate Glutathione S-Transferase in Non-Tumorigenic Prostate Cells. Int J Mol Sci. 2023 Mar 28;24(7):6323. doi: 10.3390/ijms24076323.