Details of the Drug

General Information of Drug (ID: DMIOQFU)

Drug Name
Nitrilotriacetic Acid
Synonyms
NITRILOTRIACETIC ACID; 139-13-9; 2,2',2''-nitrilotriacetic acid; Triglycollamic acid; Aminotriacetic acid; Nitrilotriacetate; Complexon I; Trilon A; N,N-Bis(carboxymethyl)glycine; Titriplex I; Komplexon I; NTA; Versene NTA acid; Nitrilotriessigsaeure; Hampshire NTA acid; Nitriloacetate; 2-[bis(carboxymethyl)amino]acetic acid; Glycine, N,N-bis(carboxymethyl)-; Tri(carboxymethyl)amine; Tris(carboxymethyl)amine; Acetic acid, nitrilotri-; CHEL 300; NCI-C02766; Nitrilo-2,2',2''-triacetic acid; Nitrilotriacetic acid (NTA); CCRIS 436
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 191.14
Logarithm of the Partition Coefficient (xlogp) -3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C6H9NO6
IUPAC Name
2-[bis(carboxymethyl)amino]acetic acid
Canonical SMILES
C(C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
MGFYIUFZLHCRTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8758
ChEBI ID
CHEBI:44557
CAS Number
139-13-9
UNII
KA90006V9D
DrugBank ID
DB03040
TTD ID
D03ZSY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactotransferrin (LTF) TTSZDQU TRFL_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.