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

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

228.29

Topological Polar Surface Area (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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

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10	The human MT1 melatonin receptor stimulates cAMP production in the human neuroblastoma cell line SH-SY5Y cells via a calcium-calmodulin signal transduction pathway. J Neuroendocrinol. 2005 Mar;17(3):170-8.
11	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 288).
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15	Effects of two melatonin analogues, S-20098 and S-20928, on melatonin receptors in the pars tuberalis of the rat. J Pineal Res. 1998 Oct;25(3):172-6.
16	US patent application no. 5,151,446, Substituted 2-amidotetralins as melatonin agonists and antagonists.
17	Novel non-indolic melatonin receptor agonists differentially entrain endogenous melatonin rhythm and increase its amplitude. Eur J Pharmacol. 1999 Oct 15;382(3):157-66.