Details of the Drug

General Information of Drug (ID: DM9EA3C)

Drug Name

6-tert-butyl-m-cresol

Synonyms

6-tert-Butyl-m-cresol; 2-tert-Butyl-5-methylphenol; 88-60-8; 6-tert-Butyl-3-methylphenol; 2-(tert-butyl)-5-methylphenol; m-Cresol, 6-tert-butyl-; Phenol, 2-(1,1-dimethylethyl)-5-methyl-; 5-Methyl-2-tert-butylphenol; 3-Methyl-6-tert-butylphenol; UNII-UXV32MJ2CA; 2-tert-butyl-5-methyl-phenol; 6-t-butyl-m-cresol; HSDB 5260; EINECS 201-842-3; NSC 48467; UXV32MJ2CA; 2-t-Butyl-5-methylphenol; BRN 1908225; Benzene, 1-tert-butyl-2-hydroxy-4-methyl-; 2-(1,1-DIMETHYLETHYL)-5-METHYLPHENOL; Phenol, 2-tert-butyl-5-methyl-

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)

164.24

Logarithm of the Partition Coefficient (xlogp)

3.6

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C11H16O
IUPAC Name: 2-tert-butyl-5-methylphenol
Canonical SMILES: CC1=CC(=C(C=C1)C(C)(C)C)O
InChI: InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3
InChIKey: XOUQAVYLRNOXDO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 6937
CAS Number: 88-60-8
TTD ID: D0F0BB

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	Activator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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: 4111).
2	Monoterpenoid agonists of TRPV3. Br J Pharmacol. 2007 Jun;151(4):530-40.