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
CHEMBL43960
CAS Number
26239-55-4
UNII
5C4R3O704E
DrugBank ID
DB02810
TTD ID
D0Q8WN
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
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.