Details of the Drug

General Information of Drug (ID: DMK8T61)

Drug Name
diphenyltetrahydrofuran
Synonyms
2,2-Diphenyltetrahydrofuran; 887-15-0; 2,2-diphenyloxolane; diphenyltetrahydrofuran; NSC89761; EINECS 212-957-3; 2,2-di(phenyl)oxolane; AC1L2DIK; AC1Q1IAM; AC1Q70T2; GTPL2498; SCHEMBL1569110; Furan,tetrahydro-2,2-diphenyl-; CTK5G1253; DTXSID70237245; Furan, tetrahydro-2,2-diphenyl-; ZINC1575610; NSC-89761; AKOS024323254; MCULE-6052973560; X4640
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 224.3
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H16O
IUPAC Name
2,2-diphenyloxolane
Canonical SMILES
C1CC(OC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C16H16O/c1-3-8-14(9-4-1)16(12-7-13-17-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKey
ONRSPOWNRLCCGF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
70175
CAS Number
887-15-0
TTD ID
D01BDJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transient receptor potential cation channel V3 (TRPV3) TT946IA TRPV3_HUMAN Blocker (channel blocker) [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Transient receptor potential cation channel V3 (TRPV3) DTT TRPV3 7.58E-01 5.28E-03 0.05
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression 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: 2498).
2 Biphasic currents evoked by chemical or thermal activation of the heat-gated ion channel, TRPV3. J Biol Chem. 2005 Apr 22;280(16):15928-41.