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

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).