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

General Information of Drug (ID: DMG8KS9)

Drug Name

Phenanthrene-9,10-dione Drug Info

Synonyms

Phenanthrene-9,10-dione; 9,10-Phenanthrenequinone; 84-11-7; Phenanthrenequinone; 9,10-PHENANTHRENEDIONE; 9,10-Phenanthraquinone; Phenanthraquinone; 9,10-Phenanthroquinone; 9-10 Phenanthrene quinone; UNII-42L7BZ8H74; CCRIS 7615; Phenanthrene, 9,10-dihydro-9,10-dioxo-; HSDB 4489; EINECS 201-515-5; NSC 10446; phenanthrene-9,10-quinone; BRN 0608838; SMR000150826; CHEMBL51931; MLS000881132; MLS000571180; AI3-23739; CHEBI:37454; YYVYAPXYZVYDHN-UHFFFAOYSA-N; 42L7BZ8H74; MFCD00001163; 9,10-dihydrophenanthrene-9,10-dione; AK-96664

Indication

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

Cross-matching ID

PubChem CID: 6763
ChEBI ID: CHEBI:37454
CAS Number: CAS 84-11-7
TTD Drug ID: DMG8KS9
INTEDE Drug ID: DR0026

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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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
NADPH-dependent carbonyl reductase 1 (CBR1)	DE9JFMC	CBR1_HUMAN	Investigative	[2]
Small intestine reductase (AKR1B10)	DEP6GT1	AK1BA_HUMAN	Investigative	[3]
NADPH-dependent carbonyl reductase 3 (CBR3)	DEIVKZ8	CBR3_HUMAN	Investigative	[2]

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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
Small intestine reductase (AKR1B10)	DME	AKR1B10	7.289	8.532	10.134	11.552
NADPH-dependent carbonyl reductase 3 (CBR3)	DME	CBR3	2.585	5.236	2.807	3.982
NADPH-dependent carbonyl reductase 1 (CBR1)	DME	CBR1	7.303	5.776	7.91	9.608

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
Small intestine reductase (AKR1B10)	DME	AKR1B10	3.34E-03	-1.14E-01	-6.72E-01
NADPH-dependent carbonyl reductase 3 (CBR3)	DME	CBR3	2.30E-04	-5.58E-01	-1.63E+00
NADPH-dependent carbonyl reductase 1 (CBR1)	DME	CBR1	2.53E-10	1.09E+00	2.10E+00

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.
2	Studies on reduction of S-nitrosoglutathione by human carbonyl reductases 1 and 3. Chem Biol Interact. 2011 May 30;191(1-3):95-103.
3	Exposure to 9,10-phenanthrenequinone accelerates malignant progression of lung cancer cells through up-regulation of aldo-keto reductase 1B10. Toxicol Appl Pharmacol. 2014 Jul 15;278(2):180-9.