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
CHEMBL44557
CAS Number
139-13-9
UNII
KA90006V9D
DrugBank ID
DB03040
TTD ID
D03ZSY
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.