Details of the Drug

General Information of Drug (ID: DMFNQZS)

• Drug Name: 2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol
• Synonyms: 2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol; 566169-93-5; UNII-K6396E6G8G; CHEMBL93124; K6396E6G8G; AK-87409; 2-[4'-(methylamino)phenyl]-6-hydroxybenzothiazole; Pittsburgh compound B unlabelled; 2-(4'-methylaminophenyl)-6-hydroxybenzothiazole; SCHEMBL912744; ZQAQXZBSGZUUNL-UHFFFAOYSA-N; MolPort-028-616-384; ZINC3816332; BDBM50129793; AKOS022184240; FC-3012; 4-methylamino-phenyl)-benzothiazol-6-ol; AJ-45711; PIB authentic (6-OH-BTA-1) free base; 2-(4-Methylamino-phenyl)-benzothiazol-6-ol

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); 256.32
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C14H12N2OS
  IUPAC Name: 2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol
  Canonical SMILES: CNC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)O
  InChI: InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
  InChIKey: ZQAQXZBSGZUUNL-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10171487
  CAS Number: 566169-93-5
  TTD ID: D0O5FK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_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
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] Synthesis of biphenyltrienes as probes for beta-amyloid plaques. J Med Chem. 2006 May 4;49(9):2841-4.