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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.