Details of the Drug

General Information of Drug (ID: DMXAS25)

• Drug Name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
• Synonyms: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide; CHEMBL112265; 352549-39-4; CBMicro_001045; Cambridge id 5870454; AC1N6ME3; Oprea1_743470; SCHEMBL251128; CTK1B0687; DTXSID20401358; MolPort-000-735-346; HMS1632P07; SMSF0008851; STL525366; BDBM50178767; carboxamido-1,2,3-tetrahydrocarbazole; AKOS004917884; CB02357; BIM-0000968.P001; SR-01000154363; SR-01000154363-1; 1H-Carbazole-1-carboxamide, 2,3,4,9-tetrahydro-

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); 214.26
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H14N2O
  IUPAC Name: 2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
  Canonical SMILES: C1CC(C2=C(C1)C3=CC=CC=C3N2)C(=O)N
  InChI: InChI=1S/C13H14N2O/c14-13(16)10-6-3-5-9-8-4-1-2-7-11(8)15-12(9)10/h1-2,4,7,10,15H,3,5-6H2,(H2,14,16)
  InChIKey: YMLOFDJHJSQCSN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4262314
  CAS Number: 352549-39-4
  TTD ID: D0E1QP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
NAD-dependent deacetylase sirtuin-1 (SIRT1)	TTUF2HO	SIR1_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
NAD-dependent deacetylase sirtuin-1 (SIRT1)	DTT	SIRT1	7.82E-01	-0.16	-0.27

References

• [1] Discovery of indoles as potent and selective inhibitors of the deacetylase SIRT1. J Med Chem. 2005 Dec 15;48(25):8045-54.