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]
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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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
DrugBank ID: DB04272
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.