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

General Information of Drug (ID: DMV275G)

Drug Name

1,2-indanedione Drug Info

Synonyms

16214-27-0; 1H-Indene-1,2(3H)-dione; 1,2-Indanedione; Indan-1,2-dione; 1,2-Indandione; Indandione; 3H-indene-1,2-dione; 2,3-dihydro-1H-indene-1,2-dione; indane dione; NSC62555; indane-1,2-dione; ACMC-20a7vb; AI3-25041; AC1L3WEO; AC1Q6K5I; 1,2-Indanedione, 95%; Indan-1,2-dione, 97%; 1H-Indene-1,2(3H)dione; SCHEMBL669542; CHEMBL235288; 1,2-Dione-Based Compound, 9; CTK0I2756; BDBM22852; DTXSID50167314; 1,2-IND; MolPort-000-004-392; WFFZGYRTVIPBFN-UHFFFAOYSA-N; ZINC1691218; KS-00000C3N; NSC-62555; BBL103322; 8216AA; STL557132; ANW-61125

Indication

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

Cross-matching ID

PubChem CID: 123358
CAS Number: CAS 16214-27-0
TTD Drug ID: DMV275G

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cholinesterase (BCHE)	TTEB0GD	CHLE_HUMAN	Inhibitor	[1]
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	Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. J Med Chem. 2007 Nov 15;50(23):5727-34.