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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL383736
TTD ID
D06AJH
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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]
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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
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.