Details of the Drug

General Information of Drug (ID: DMQ4TUE)

• Drug Name: BDBM50061601
• Synonyms: CHEMBL3394073; SCHEMBL12696208; BDBM50061601
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 379.4
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C18H17N7OS
  IUPAC Name: 5-[3-(6-morpholin-4-ylpyrazin-2-yl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
  Canonical SMILES: C1COCCN1C2=NC(=CN=C2)C3=CNC4=C3C=C(C=C4)C5=NN=C(S5)N
  InChI: InChI=1S/C18H17N7OS/c19-18-24-23-17(27-18)11-1-2-14-12(7-11)13(8-21-14)15-9-20-10-16(22-15)25-3-5-26-6-4-25/h1-2,7-10,21H,3-6H2,(H2,19,24)
  InChIKey: JHCXRIDGVGVKMB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 68356857
  TTD ID: D04VSB

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PIM-3 protein kinase (PIM3)	TTCGOIN	PIM3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
PIM-3 protein kinase (PIM3)	DTT	PIM3	7.86E-06	0.78	3.44

References

• [1] Azole compounds as PIM inhibitors. US9321756.