Details of the Drug

General Information of Drug (ID: DM9K27Q)

• Drug Name: 4-tert-butyl-N-m-tolylthiazol-2-amine
• Synonyms: CHEMBL438248; 4-tert-butyl-N-m-tolylthiazol-2-amine; ZINC36159723

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); 246.37
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H18N2S
  IUPAC Name: 4-tert-butyl-N-(3-methylphenyl)-1,3-thiazol-2-amine
  Canonical SMILES: CC1=CC(=CC=C1)NC2=NC(=CS2)C(C)(C)C
  InChI: InChI=1S/C14H18N2S/c1-10-6-5-7-11(8-10)15-13-16-12(9-17-13)14(2,3)4/h5-9H,1-4H3,(H,15,16)
  InChIKey: JCIZSRYCZWHMQK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44411325
  TTD ID: D0CX7I

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.