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Identification
Name M-Cresol
Accession Number DB01776 (EXPT01026)
Type small molecule
Groups experimental
Description Not Available
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms Not Available
Salts Not Available
Brand names Not Available
Brand mixtures Not Available
Categories Not Available
CAS number 108-39-4
Weight Average: 108.1378
Monoisotopic: 108.057514878
Chemical Formula C7H8O
InChI Key InChIKey=RLSSMJSEOOYNOY-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
Plain Text
IUPAC Name
3-methylphenol
SMILES
CC1=CC=CC(O)=C1
Plain Text
Mass Spec Not Available
Taxonomy
Kingdom Not Available
Classes Not Available
Substructures Not Available
Pharmacology
Indication Not Available
Pharmacodynamics Not Available
Mechanism of action Not Available
Absorption Not Available
Volume of distribution Not Available
Protein binding Not Available
Metabolism Not Available
Route of elimination Not Available
Half life Not Available
Clearance Not Available
Toxicity Not Available
Affected organisms Not Available
Pathways Not Available
Pharmacoeconomics
Manufacturers Not Available
Packagers Not Available
Dosage forms Not Available
Prices Not Available
Patents Not Available
Properties
State solid
Experimental Properties
Property Value Source
melting point 11.8 °C PhysProp
boiling point 202.2 °C PhysProp
water solubility 2.27E+004 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992)
logP 1.96 HANSCH,C ET AL. (1995)
logS -0.68 ADME Research, USCD
pKa 10.1 (at 25 °C) PEARCE,PJ & SIMKINS,RJJ (1968)
Predicted Properties
Property Value Source
water solubility 2.51e+01 g/l ALOGPS
logP 1.93 ALOGPS
logP 2.18 ChemAxon
logS -0.63 ALOGPS
pKa (strongest acidic) 10.13 ChemAxon
pKa (strongest basic) -5.5 ChemAxon
physiological charge 0 ChemAxon
hydrogen acceptor count 1 ChemAxon
hydrogen donor count 1 ChemAxon
polar surface area 20.23 ChemAxon
rotatable bond count 0 ChemAxon
refractivity 33.08 ChemAxon
polarizability 11.91 ChemAxon
References
Synthesis Reference Not Available
General Reference Not Available
External Links
Resource Link
KEGG Drug D04951 Link_out
KEGG Compound C01467 Link_out
PubChem Compound 342 Link_out
PubChem Substance 46508491 Link_out
ChemSpider 21105871 Link_out
ChEBI 17231 Link_out
ChEMBL 17231 Link_out
HET CRS Link_out
Drug Product Database 332984 Link_out
Wikipedia http://en.wikipedia.org/wiki/M-Cresol Link_out
ATC Codes Not Available
AHFS Codes Not Available
PDB Entries
FDA label Not Available
MSDS Not Available
Interactions
Drug Interactions Not Available
Food Interactions Not Available
Targets

1. Insulin

Pharmacological action: unknown

Insulin decreases blood glucose concentration. It increases cell permeability to monosaccharides, amino acids and fatty acids. It accelerates glycolysis, the pentose phosphate cycle, and glycogen synthesis in liver

Organism class: human
UniProt ID: P01308 Link_out
Gene: INS
Protein Sequence: FASTA
SNPs: SNPJam Report Link_out

References:
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. Pubmed
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. Pubmed
Comments
Drug created on June 13, 2005 07:24 / Updated on February 08, 2013 16:20