Details of the Drug

General Information of Drug (ID: DMFZPCD)

Drug Name
N-(naphthalen-1-yl)-4-phenylthiazol-2-amine
Synonyms CHEMBL208452; N-(naphthalen-1-yl)-4-phenylthiazol-2-amine; AC1N24LJ; BDBM50183105; AKOS001583269; EU-0001073; N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine; SR-01000396392
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 302.4
Logarithm of the Partition Coefficient (xlogp) 5.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H14N2S
IUPAC Name
N-naphthalen-1-yl-4-phenyl-1,3-thiazol-2-amine
Canonical SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C19H14N2S/c1-2-8-15(9-3-1)18-13-22-19(21-18)20-17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,20,21)
InChIKey
JWZVJRBKXQFLBH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4015979
TTD ID
D0W1VL

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 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
C-C chemokine receptor type 4 (CCR4) DTT CCR4 2.33E-02 3.98E-03 0.03
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

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