Details of the Drug

General Information of Drug (ID: DM6JO30)

Drug Name

Rogletimide

Synonyms

ROGLETIMIDE; Pyridoglutethimide; 92788-10-8; 3-PYG; (+-)-Pyridoglutethimide; Racemic-pyridoglutethimide; 2-Ethyl-2-(4-pyridyl)glutarimide; 121840-95-7; 3-Ethyl-3-(4-pyridyl)piperidine-2,6-dione; 2,6-Piperidinedione, 3-ethyl-3-(4-pyridinyl)-; CHEMBL289116; 3-ethyl-3-pyridin-4-ylpiperidine-2,6-dione; 3-ethyl-3-(pyridin-4-yl)piperidine-2,6-dione; (+/-) 3-Ethyl-3-(4-pyridinyl)-2,6-piperidinedione; 3-ethyl-3-(4-pyridinyl)-2,6-piperidinedione; Rogletimida; Rogletimidum; Rogletimidum [INN-Latin]; Rogletimida [INN-Spanish]

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

218.25

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Adverse Drug Reaction (ADR)

ADR Term	Variation	Related DOT	DOT ID	REF
Cardiovascular disorder	Not Available	AK1	OT614AR3	[2]
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Chemical Identifiers

Formula: C12H14N2O2
IUPAC Name: 3-ethyl-3-pyridin-4-ylpiperidine-2,6-dione
Canonical SMILES: CCC1(CCC(=O)NC1=O)C2=CC=NC=C2
InChI: InChI=1S/C12H14N2O2/c1-2-12(9-4-7-13-8-5-9)6-3-10(15)14-11(12)16/h4-5,7-8H,2-3,6H2,1H3,(H,14,15,16)
InChIKey: QXKJWHWUDVQATH-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 56487
CAS Number: 92788-10-8
TTD ID: D06JUR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aromatase (CYP19A1)	TTSZLWK	CP19A_HUMAN	Inhibitor	[3]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Adenylate kinase isoenzyme 1 (AK1)	OT614AR3	KAD1_HUMAN	Drug Response	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001207)
2	ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
3	Analogues of 3-ethyl-3-(4-pyridyl)piperidine-2,6-dione as selective inhibitors of aromatase: derivatives with variable 1-alkyl and 3-alkyl substitu... J Med Chem. 1987 Sep;30(9):1550-4.