Details of the Drug

General Information of Drug (ID: DM0AFY7)

Drug Name

Glyphosate

Synonyms

glyphosate; 1071-83-6; N-(Phosphonomethyl)glycine; Glyphosphate; Roundup; Glycine, N-(phosphonomethyl)-; N-Phosphonomethyl-glycine; 2-(phosphonomethylamino)acetic acid; Silglif; Pondmaster; Roundup Max; N-Phosphonomethylglycine; N-Phosphomethylglycine; Caswell No. 661A; MON 2139; C3H8NO5P; N-(Phosphonomethyl) Glycine; NSC151063; Glialka; Phosphonomethyliminoacetic acid; Mon 6000; Glyphosate [ANSI:BSI:ISO]; UNII-4632WW1X5A; CCRIS 1587; CP 67573; HSDB 3432; XDDAORKBJWWYJS-UHFFFAOYSA-N; EINECS 213-997-4; 2-((Phosphonomethyl)amino)acetic

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Investigative	[1], [2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

169.07

Topological Polar Surface Area (xlogp)

-4.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C3H8NO5P
IUPAC Name: 2-(phosphonomethylamino)acetic acid
Canonical SMILES: C(C(=O)O)NCP(=O)(O)O
InChI: InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
InChIKey: XDDAORKBJWWYJS-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 3496
ChEBI ID: CHEBI:27744
CAS Number: 1071-83-6
DrugBank ID: DB04539
TTD ID: D04HMD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Phosphoshikimate1-carboxyvinyltransferase (Bact aroA)	TTB30PF	AROA_ECOLI	Inhibitor	[3]
Plasmodium Enopyruvyl shikimate phosphate synthase (Malaria ESPS)	TTVL895	A0A1C3KAW3_PLAMA	Inhibitor	[1], [2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	The apicoplast as an antimalarial drug target. Drug Resist Updat. 2001 Jun;4(3):145-51.
2	Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97.
3	Novel molecular targets for antimalarial chemotherapy. Int J Antimicrob Agents. 2007 Jul;30(1):4-10.
4	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.