Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DMCFTB8)

Drug Name

Heptane-2,3-dione Drug Info

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

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 60983
ChEBI ID: CHEBI:88623
CAS Number: CAS 96-04-8
TTD Drug ID: DMCFTB8

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Liver carboxylesterase (CES1)	TTMF541	EST1_HUMAN	Inhibitor	[1]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
Liver carboxylesterase (CES1)	DTT	CES1	12.04	6.525	5.311	5.909

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Liver carboxylesterase (CES1)	DTT	CES1	3.82E-08	1.86	1.9

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

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.