Details of the Drug

General Information of Drug (ID: DM8Q54I)

• Drug Name: PBIT
• Synonyms: 2514-30-9; PBIT; 2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one; 2-(4-methylphenyl)-1,2-benzothiazol-3-one; MLS000583746; 2-(p-Tolyl)benzo[d]isothiazol-3(2H)-one; 2-(p-tolyl)-1,2-benzothiazol-3-one; SMR000200989; 2-(4-methylphenyl)-1,2-benzothiazol-3(2H)-one; 1,2-Benzisothiazol-3(2H)-one, 2-(4-methylphenyl)-; 2-(4-methylphenyl)-2,3-dihydro-1,2-benzothiazol-3-one; ChemDiv3_007090; AC1LIP69; cid_935415; SCHEMBL2443755; GTPL7026; CHEMBL1336959; CTK0J4356; BDBM34737; AOB6896; DTXSID10359056; MolPort-002-285-696; HMS2576N21

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); 241.31
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C14H11NOS
  IUPAC Name: 2-(4-methylphenyl)-1,2-benzothiazol-3-one
  Canonical SMILES: CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3S2
  InChI: InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/h2-9H,1H3
  InChIKey: KRXMYBAZKJBJAB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 935415
  CAS Number: 2514-30-9
  TTD ID: D0IQ7Y

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Lysine-specific demethylase 5A (KDM5A)	TTIG67W	KDM5A_HUMAN	Inhibitor	[1]
Lysine-specific demethylase 5B (KDM5B)	TTCLI75	KDM5B_HUMAN	Inhibitor	[1]
Lysine-specific demethylase 5C (KDM5C)	TT94UCF	KDM5C_HUMAN	Inhibitor	[1]

References

• [1] Identification of small molecule inhibitors of Jumonji AT-rich interactive domain 1B (JARID1B) histone demethylase by a sensitive high throughput screen. J Biol Chem. 2013 Mar 29;288(13):9408-17.