Details of the Drug

General Information of Drug (ID: DMQRZ4T)

Drug Name
NSC632839
Synonyms
157654-67-6; NSC 632839 hydrochloride; NSC-632839; Nsc 632839; NSC-632839 hydrochloride; 3,5-BIS[(4-METHYLPHENYL)METHYLENE]-4-PIPERIDONE HYDROCHLORIDE; 157654-67-6 (HCl); MLS002701647; C21H21NO.ClH; (3E,5E)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrochloride; CHEMBL1990474; DTXSID10417701; AMY19345; BCP28077; EX-A4187; 2599AH; s4922; AKOS024457219; CS-6014; BS-15510; HY-100708; NSC 632839, >=98% (HPLC); J-009433; 3,5-bis((E)-4-methylbenzylidene)piperidin-4-one hydrochloride; 4-Piperidione,3,5-bis[(4-methylphenyl)methylene] hydrochloride; 4-Piperidinone,5-bis[(4-methylphenyl)methylene]-, hydrochloride; 4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hydrochloride (1:1)
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Preclinical [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 339.9
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C21H22ClNO
IUPAC Name
(3E,5E)-3,5-bis[(4-methylphenyl)methylidene]piperidin-4-one;hydrochloride
Canonical SMILES
CC1=CC=C(C=C1)/C=C\\2/C(=O)/C(=C/C3=CC=C(C=C3)C)/CNC2.Cl
InChI
InChI=1S/C21H21NO.ClH/c1-15-3-7-17(8-4-15)11-19-13-22-14-20(21(19)23)12-18-9-5-16(2)6-10-18;/h3-12,22H,13-14H2,1-2H3;1H/b19-11+,20-12+;
InChIKey
ZOKZLTXPTLIWOJ-BYCVLTJGSA-N
Cross-matching ID
PubChem CID
5351362
CAS Number
157654-67-6
TTD ID
DRT90B
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ubiquitin thioesterase L1 (UCHL1) TTX9IFP UCHL1_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging therapies targeting the ubiquitin proteasome system in cancer. J Clin Invest. 2014 Jan;124(1):6-12.
2 Ubiquitin C-Terminal Hydrolase L1 regulates autophagy by inhibiting autophagosome formation through its deubiquitinating enzyme activity. Biochem Biophys Res Commun. 2018 Mar 4;497(2):726-733.