Details of the Drug

General Information of Drug (ID: DMWC70I)

• Drug Name: N-(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)-acetamide
• Synonyms: 60480-69-5; N-(2,3,4,9-TETRAHYDRO-1H-CARBAZOL-3-YL)ACETAMIDE; CHEMBL41973; 3-Acetamido-1,2,3,4-tetrahydrocarbazole; N-(2,3,4,9-Tetrahydro-1H-carbazol-3-yl)-acetamide; SCHEMBL7406266; KS-00000TMN; CTK2F0321; DTXSID90494196; MolPort-042-663-532; DNJBLXBGYRYOBT-UHFFFAOYSA-N; BDBM50212923; AKOS027461084; 3-Acetamido-1,2,3,4-tetrahydrocarbazol; DS-19200; AK543106; Acetamide, N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)-

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); 228.29
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C14H16N2O
  IUPAC Name: N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)acetamide
  Canonical SMILES: CC(=O)NC1CCC2=C(C1)C3=CC=CC=C3N2
  InChI: InChI=1S/C14H16N2O/c1-9(17)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-5,10,16H,6-8H2,1H3,(H,15,17)
  InChIKey: DNJBLXBGYRYOBT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 12361788
  CAS Number: 60480-69-5
  TTD ID: D01FVY
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melatonin receptor type 1A (MTNR1A)	TT0WAIE	MTR1A_HUMAN	Inhibitor	[1]
Melatonin receptor type 1B (MTNR1B)	TT32JK8	MTR1B_HUMAN	Inhibitor	[1]

References

• [1] Mapping the melatonin receptor. 2. synthesis and biological activity of indole derived melatonin analogues with restricted conformations of the C-3 amidoethane side chain, Bioorg. Med. Chem. Lett. 4(13):1559-1564 (1994).