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]
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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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.