Details of the Drug

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
CHEMBL1261
CAS Number
77-92-9
TTD ID
D02RTS
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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
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.