General Information of Drug (ID: DM4G8WX)

Drug Name
Pyridine-2,4-dicarboxylic acid
Synonyms
Pyridine-2,4-dicarboxylic acid; 499-80-9; 2,4-PYRIDINEDICARBOXYLIC ACID; Lutidinic acid; 2,4-Lutidinic acid; UNII-AFI29F0TVL; AFI29F0TVL; CHEBI:44737; EC 207-892-2; MJIVRKPEXXHNJT-UHFFFAOYSA-N; MFCD00149413; 2,4-Pyridinedicarboxylic acid hydrate, 99+%; 2,4-Pyridinedicarboxylicacid, hydrate (1:1); 4nrq; PD2; EINECS 207-892-2; NSC 403248; PubChem16314; 4-carboxypicolinic acid; 2vd7; 4ie0; 2w2i; pyridine carboxylate, 6a; AC1Q5UFW; ACMC-1BNB9; AC1L1V1N; 2,4-Pyridine-dicarboxylate; SCHEMBL72377; cid_10365; MLS000078055; GTPL8744
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) 167.12
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C7H5NO4
IUPAC Name
pyridine-2,4-dicarboxylic acid
Canonical SMILES
C1=CN=C(C=C1C(=O)O)C(=O)O
InChI
InChI=1S/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey
MJIVRKPEXXHNJT-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10365
ChEBI ID
CHEBI:44737
CAS Number
499-80-9
TTD ID
D07IOY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HIF-prolyl hydroxylase 1 (HPH-1) TTMHFRY EGLN2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone de... J Med Chem. 2010 Aug 12;53(15):5629-38.