Details of the Drug

General Information of Drug (ID: DMNTDFV)

Drug Name
6-Cl-IMP
Synonyms
Hadacidin; N-FORMYL-N-HYDROXYGLYCINE; 689-13-4; Hadacidine; Asymmetrin; Hadacin; Nfhaa; N-Formyl hydroxyaminoacetic acid; UNII-BFO5P1010A; Glycine,N-formyl-N-hydroxy-; 2-(N-Hydroxyformamido)acetic acid; GLYCINE, N-FORMYL-N-HYDROXY-; NSC 72962; BRN 1927168; N-hydroxyformamidoacetic acid; CHEMBL331373; BFO5P1010A; CHEBI:43040; [formyl(hydroxy)amino]acetic acid; NSC 521778; N-formyl-N- hydroxyaminoacetic acid; hadicidine; SCHEMBL2115651; AC1L207A; DTXSID1043962; CTK5C8639; (Formyl-hydroxy-amino)-acetic acid; ZINC1482078
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): 0 Molecular Weight (mw) 119.08
Logarithm of the Partition Coefficient (xlogp) -1.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C3H5NO4
IUPAC Name
2-[formyl(hydroxy)amino]acetic acid
Canonical SMILES
C(C(=O)O)N(C=O)O
InChI
InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
InChIKey
URJHVPKUWOUENU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12717
ChEBI ID
CHEMBL331373
CAS Number
689-13-4
UNII
BFO5P1010A
DrugBank ID
DB02109
TTD ID
D05EHM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
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
Inosine-5'-monophosphate dehydrogenase 1 (IMPDH1) TTL7C8Q IMDH1_HUMAN Inhibitor [2]
Plasmodium Adenylosuccinate synthetase (Malaria Adss) TTYQ4AE PURA_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 High performance liquid chromatography analysis of hypoxanthine metabolism in mouse oocyte-cumulus cell complexes: effects of purine metabolic perturbants. Biol Reprod. 1994 Jun;50(6):1403-12.
2 Identification of the IMP binding site in the IMP dehydrogenase from Tritrichomonas foetus. Biochemistry. 1995 Oct 24;34(42):13889-94.