Details of the Drug

General Information of Drug (ID: DMY0A9E)

Drug Name
Hydroxycitric acid
Synonyms SCHEMBL4050699; AKOS021667799; AKOS001495053; ES-2021; MCULE-2991610180; EU-0054396; SR-01000546484; SR-01000546484-1
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): 1 Molecular Weight (mw) 208.12
Logarithm of the Partition Coefficient (xlogp) -2.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C6H8O8
IUPAC Name
1,2-dihydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES
C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C6H8O8/c7-2(8)1-6(14,5(12)13)3(9)4(10)11/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13)
InChIKey
ZMJBYMUCKBYSCP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
123908
CAS Number
6205-14-7
TTD ID
D07WIB
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
Pancreatic alpha-amylase (AMY2A) TTCGSZ4 AMYP_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Chemistry, physiological properties, and microbial production of hydroxycitric acid. Appl Microbiol Biotechnol. 2007 Jul;75(5):977-82.