Details of the Drug

General Information of Drug (ID: DM04N7I)

Drug Name
3,5-dihydroxybenzoic acid
Synonyms NSC 22948; alpha-resorcylic acid; 5-carboxyresorcinol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 154.12
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H6O4
IUPAC Name
3,5-dihydroxybenzoic acid
Canonical SMILES
C1=C(C=C(C=C1O)O)C(=O)O
InChI
InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11)
InChIKey
UYEMGAFJOZZIFP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7424
ChEBI ID
CHEBI:39912
CAS Number
99-10-5
TTD ID
D0W1OR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
G protein coupled receptor 81 (HCAR1) TTVK4ZO HCAR1_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5783).
2 3,5-Dihydroxybenzoic acid, a specific agonist for hydroxycarboxylic acid 1, inhibits lipolysis in adipocytes. J Pharmacol Exp Ther. 2012 Jun;341(3):794-801.