Details of the Drug

General Information of Drug (ID: DMW1T93)

• Drug Name: 4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine
• Synonyms: CHEMBL207589; 4-isopropyl-N-(naphthalen-1-yl)thiazol-2-amine; SCHEMBL14433285

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 268.4
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H16N2S
  IUPAC Name: N-naphthalen-1-yl-4-propan-2-yl-1,3-thiazol-2-amine
  Canonical SMILES: CC(C)C1=CSC(=N1)NC2=CC=CC3=CC=CC=C32
  InChI: InChI=1S/C16H16N2S/c1-11(2)15-10-19-16(18-15)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,1-2H3,(H,17,18)
  InChIKey: UZYASSJTIRFKFN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9814022
  TTD ID: D0M7HQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-C chemokine receptor type 4 (CCR4)	TT7HQD0	CCR4_HUMAN	Inhibitor	[1]

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
C-C chemokine receptor type 4 (CCR4)	DTT	CCR4	2.33E-02	3.98E-03	0.03

References

• [1] Optimization of 2-aminothiazole derivatives as CCR4 antagonists. Bioorg Med Chem Lett. 2006 May 15;16(10):2800-3.