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]
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) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Cardiovascular disorder Not Available AK1 OT614AR3 [2]
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
ChEBI ID
CHEMBL289116
CAS Number
92788-10-8
TTD ID
D06JUR
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Adenylate kinase isoenzyme 1 (AK1) OT614AR3 KAD1_HUMAN Drug Response [2]
Molecular Interaction Atlas (MIA) 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.