Details of the Drug

General Information of Drug (ID: DM7D3GL)

Drug Name
N-(2-Acetamido)Iminodiacetic Acid
Synonyms
26239-55-4; N-(2-Acetamido)iminodiacetic acid; 2,2'-((2-Amino-2-oxoethyl)azanediyl)diacetic acid; Carbamoylmethylaminodiacetic acid; ADA; 2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid; Glycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-; N-(Carbamoylmethyl)iminodiacetic acid; N-Carbamoylmethyliminodi(acetic acid); UNII-5C4R3O704E; (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID; 5C4R3O704E; N-[2-Acetamido]iminodiacetic acid; MFCD00008031; AK-41593; ADA, 99%, for biochemistry
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) 190.15
Logarithm of the Partition Coefficient (xlogp) -3.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C6H10N2O5
IUPAC Name
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
Canonical SMILES
C(C(=O)N)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13)
InChIKey
QZTKDVCDBIDYMD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
117765
ChEBI ID
CHEBI:43960
CAS Number
26239-55-4
DrugBank ID
DB02810
TTD ID
D0Q8WN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Peptide deformylase (Stap-coc def) TTICO5G DEF_STAAU 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.