General Information of Drug (ID: DM80YI7)

Drug Name
citric acid
Synonyms
Citric acid; 77-92-9; Citric acid, anhydrous; citrate; Citro; Anhydrous citric acid; Aciletten; Citretten; Chemfill; Hydrocerol A; 1,2,3-Propanetricarboxylic acid, 2-hydroxy-; Kyselina citronova; 2-hydroxy-1,2,3-propanetricarboxylic acid; 2-Hydroxytricarballylic acid; Citric acid anhydrous; Caswell No 221C; F 0001 (polycarboxylic acid); 3-Carboxy-3-hydroxypentane-1,5-dioic acid; 2-Hydroxypropanetricarboxylic acid; beta-Hydroxytricarballylic acid; FEMA Number 2306; K-Lyte
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
ATC Code
A09AB04: citric acid
A09AB: Acid preparations
A09A: DIGESTIVES, INCL. ENZYMES
A09: DIGESTIVES, INCL. ENZYMES
A: ALIMENTARY TRACT AND METABOLISM
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 192.12
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C6H8O7
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
KRKNYBCHXYNGOX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
311
ChEBI ID
CHEBI:30769
CAS Number
77-92-9
TTD ID
D02RTS

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Candida Cytochrome P450 51 (Candi ERG11) TTTSOUD CP51_CANAL Binder [2]
Polycystic kidney disease 2-like 1 (TRPP2) TTAHD89 PK2L1_HUMAN Activator [3]
Transient receptor potential cation channel V4 (TRPV4) TTKP2SU TRPV4_HUMAN Activator [4]
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: 2478).
2 Chemosensitization of fluconazole resistance in Saccharomyces cerevisiae and pathogenic fungi by a D-octapeptide derivative. Antimicrob Agents Chemother. 2004 Apr;48(4):1256-71.
3 Transient receptor potential family members PKD1L3 and PKD2L1 form a candidate sour taste receptor. Proc Natl Acad Sci U S A. 2006 Aug 15;103(33):12569-74.
4 Impaired pressure sensation in mice lacking TRPV4. J Biol Chem. 2003 Jun 20;278(25):22664-8.