Details of the Drug

General Information of Drug (ID: DM65SQK)

• Drug Name: GRANULATIMIDE
• Synonyms: GRANULATIMIDE; CHEMBL240747; 219828-99-6; SCHEMBL4238896; CTK1A7209; DTXSID90415922; BDBM50216165; 1,11-dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,6-dione; 3,11-Dihydro-1,3,5,11-tetraaza-benzo[a]trindene-4,6-dione; 1H-Imidazo[4,5-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione

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); 276.25
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H8N4O2
  IUPAC Name: 3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
  Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=C5C(=C3N2)NC=N5)C(=O)NC4=O
  InChI: InChI=1S/C15H8N4O2/c20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-5,18H,(H,16,17)(H,19,20,21)
  InChIKey: LBTREMHIJGMYQN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5324595
  CAS Number: 219828-99-6
  TTD ID: D06EZQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Checkpoint kinase-1 (CHK1)	TTTU902	CHK1_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
Checkpoint kinase-1 (CHK1)	DTT	CHEK1	7.22E-191	1.43	4.74

References

• [1] Synthesis, in vitro antiproliferative activities, and Chk1 inhibitory properties of pyrrolo[3,4-a]carbazole-1,3-diones, pyrrolo[3,4-c]carbazole-1,3... Eur J Med Chem. 2008 Feb;43(2):282-92.