Details of the Drug

General Information of Drug (ID: DMYVIBW)

Drug Name

SN-2

Synonyms

SN 2; 823218-99-1; MLS000700355; 5-mesityl-3-oxa-4-azatricyclo[5.2.1.0~2,6~]dec-4-ene; SMR000225039; 5-mesityl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene; AE-842/34023054; GTPL6402; CHEMBL1430530; BDBM46936; CTK6B4503; MolPort-002-801-812; cid_11834987; HMS2568I08; 4052AH; AKOS024458411; CS-3229; HY-16696; 5-Mesityl-3-oxa-4-azatricyclo[5.2.1.0(2,6)]dec-4-ene

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

255.35

Logarithm of the Partition Coefficient (xlogp)

4.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C17H21NO
IUPAC Name: 5-(2,4,6-trimethylphenyl)-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene
Canonical SMILES: CC1=CC(=C(C(=C1)C)C2=NOC3C2C4CCC3C4)C
InChI: InChI=1S/C17H21NO/c1-9-6-10(2)14(11(3)7-9)16-15-12-4-5-13(8-12)17(15)19-18-16/h6-7,12-13,15,17H,4-5,8H2,1-3H3
InChIKey: WKLZNTYMDOPBSE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 11834987
TTD ID: D0G1LN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mucolipin-3 (TRPML3)	TT0NLAQ	MCLN3_HUMAN	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	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. (Ligand id: 6402).
2	Small molecule activators of TRPML3. Chem Biol. 2010 Feb 26;17(2):135-48.