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

General Information of Drug (ID: DMDS4Q0)

Drug Name

3-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridine Drug Info

Synonyms

CHEMBL55746; 87372-77-8; 3-(1-Chloro-2-methyl-1-phenylpropan-2-yl)pyridine; 3-(2-Chloro-1,1-dimethyl-2-phenyl-ethyl)-pyridine; CTK3C4530; DTXSID30658230; BDBM50028163; Pyridine, 3-(2-chloro-1,1-dimethyl-2-phenylethyl)-

Indication

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

Cross-matching ID

PubChem CID: 44299142
CAS Number: CAS 87372-77-8
TTD Drug ID: DMDS4Q0

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Investigative Drug(s)

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Drug(s) Targeting Steroid 11-beta-hydroxylase (CYP11B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[2]
Osilodrostat	DMIJC9X	Cushing disease	5A70	Approved	[3]
Metyrapone	DMI7FVQ	Cushing disease	5A70	Approved	[4]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol	DM6Z5EK	Discovery agent	N.A.	Investigative	[5]
4-Indan-(1Z)-ylidenemethyl-pyridine	DM25DR7	Discovery agent	N.A.	Investigative	[6]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMIEMWA	Discovery agent	N.A.	Investigative	[5]
4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine	DMY08FE	Discovery agent	N.A.	Investigative	[6]
5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine	DM2RIHT	Discovery agent	N.A.	Investigative	[6]
4-((1H-imidazol-1-yl)methyl)benzonitrile	DMFUBRC	Discovery agent	N.A.	Investigative	[2]
4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine	DMHDZUO	Discovery agent	N.A.	Investigative	[6]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

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References

1	Structure-activity relationship study of the inhibition of adrenal cortical 11 beta-hydroxylase by new metyrapone analogues. J Med Chem. 1984 Jan;27(1):15-9.
2	Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.
3	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
4	Effects of 3-MeSO2-DDE and some CYP inhibitors on glucocorticoid steroidogenesis in the H295R human adrenocortical carcinoma cell line. Toxicol In Vitro. 2002 Apr;16(2):113-21.
5	Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58.
6	Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.