Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D05AVX
|
|||
Former ID |
DNC005434
|
|||
Drug Name |
Heptane-2,3-dione
|
|||
Synonyms |
2,3-HEPTANEDIONE; 96-04-8; Acetyl valeryl; Heptane-2,3-dione; Valerylacetyl; Acetylvaleryl; Acetyl pentanoyl; UNII-DK55DDE86P; DK55DDE86P; Benzil-related compound, 47; CHEBI:88623; MFCD00036550; FR-2294; Heptanedione; FEMA No. 2543; 2,3-Dioxoheptane; EINECS 202-472-5; 2,3-heptane dione; NSC 31668; 2,3 - Heptanedione; AC1L1UAC; SCHEMBL109416; ACMC-20978p; CHEMBL364588; DTXSID4059128; KS-00000YJN; FEMA 2543; CTK0C6666; BDBM22769; MolPort-002-501-994; FJPGAMCQJNLTJC-UHFFFAOYSA-N; NSC31668; ZINC1663926; 2,3-Heptanedione, >=97%, FG
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
|||
Formula |
C7H12O2
|
|||
Canonical SMILES |
CCCCC(=O)C(=O)C
|
|||
InChI |
1S/C7H12O2/c1-3-4-5-7(9)6(2)8/h3-5H2,1-2H3
|
|||
InChIKey |
FJPGAMCQJNLTJC-UHFFFAOYSA-N
|
|||
CAS Number |
CAS 96-04-8
|
|||
PubChem Compound ID | ||||
ChEBI ID |
CHEBI:88623
|
Target and Pathway | Top | |||
---|---|---|---|---|
Target(s) | Liver carboxylesterase (CES1) | Target Info | Inhibitor | [1] |
KEGG Pathway | Drug metabolism - other enzymes | |||
Metabolic pathways | ||||
Pathway Interaction Database | E2F transcription factor network | |||
WikiPathways | NRF2 pathway | |||
Nuclear Receptors Meta-Pathway | ||||
Heroin metabolism | ||||
Irinotecan Pathway | ||||
Fluoropyrimidine Activity | ||||
Phase I biotransformations, non P450 |
References | Top | |||
---|---|---|---|---|
REF 1 | Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases. J Med Chem. 2005 Apr 21;48(8):2906-15. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.