Details of the Drug

General Information of Drug (ID: DMCWZ84)

Drug Name

SC-41661A

Synonyms

105357-16-2; 105357-17-3; Propanamide, 3-[(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-N-methyl-N-[2-(2-pyridinyl)ethyl]-

Indication

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

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

465.1

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

9

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C25H37ClN2O2S
IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propanamide;hydrochloride
Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCCC(=O)N(C)CCC2=CC=CC=N2.Cl
InChI: InChI=1S/C25H36N2O2S.ClH/c1-24(2,3)20-16-19(17-21(23(20)29)25(4,5)6)30-15-12-22(28)27(7)14-11-18-10-8-9-13-26-18;/h8-10,13,16-17,29H,11-12,14-15H2,1-7H3;1H
InChIKey: MCQQQXHGLCUPHW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Modulator	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Arachidonate 5-lipoxygenase (5-LOX)	DTT	ALOX5	4.15E-01	-0.06	-0.15

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Induction of apoptosis in blood cells from a patient with acute myelogenous leukemia by SC41661A, a selective inhibitor of 5-lipoxygenase. Prostaglandins Leukot Essent Fatty Acids. 1993 Apr;48(4):323-6.