Details of the Drug

General Information of Drug (ID: DMTFWAQ)

Drug Name

2-(2-cyclohexylidenehydrazinyl)-4-p-tolylthiazole

Synonyms

CHEMBL1253700; 2-(2-cyclohexylidenehydrazinyl)-4-p-tolylthiazole; BDBM50326648; ZINC54362881; AKOS005139686; ST51067932

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

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

285.4

Logarithm of the Partition Coefficient (xlogp)

4.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C16H19N3S
IUPAC Name: N-(cyclohexylideneamino)-4-(4-methylphenyl)-1,3-thiazol-2-amine
Canonical SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NN=C3CCCCC3
InChI: InChI=1S/C16H19N3S/c1-12-7-9-13(10-8-12)15-11-20-16(17-15)19-18-14-5-3-2-4-6-14/h7-11H,2-6H2,1H3,(H,17,19)
InChIKey: KHLVZVWWHKJADP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type B (MAO-B)	TTGP7BY	AOFB_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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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
Monoamine oxidase type B (MAO-B)	DTT	MAOB	2.65E-02	1.12E-02	0.07

Molecular Expression Atlas (MEA)

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References

1	Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. Bioorg Med Chem. 2010 Jul 15;18(14):5063-70.