Details of the Drug

General Information of Drug (ID: DMFRASQ)

• Drug Name: 4-methyl-N-(naphthalen-1-yl)thiazol-2-amine
• Synonyms: CHEMBL383736; AC1LEV1N; Maybridge1_006094; 4-methyl-N-(naphthalen-1-yl)thiazol-2-amine; SCHEMBL14433296; HMS558M22; CCG-716; MolPort-000-432-043; ZINC5730833; BDBM50183094; AKOS002285219; MCULE-5807523116; ST50046832; (4-methyl(1,3-thiazol-2-yl))naphthylamine

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 240.33
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H12N2S
  IUPAC Name: 4-methyl-N-naphthalen-1-yl-1,3-thiazol-2-amine
  Canonical SMILES: CC1=CSC(=N1)NC2=CC=CC3=CC=CC=C32
  InChI: InChI=1S/C14H12N2S/c1-10-9-17-14(15-10)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,15,16)
  InChIKey: QNKLFDFMOINNIW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 692856
  TTD ID: D06AJH

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.