Details of the Drug

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
CHEMBL316034
CAS Number
499-80-9
TTD ID
D07IOY
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP 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
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.