General
Preferred name
PD158272
Synonyms
2,6-Dimethylquinoline ()
6-Methylquinaldine ()
P&D ID
PD158272
CAS
877-43-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 2,6-Dimethylquinoline, a nature constituent from the roots of Peucedantu praeruptorum, is a CYP1A2 inhibitor with an IC50 of 3.3 ¦ÌM. 2,6-Dimethylquinoline also inhibits CYP2B6 activity with an IC50 of 480 ¦ÌM[1][2][3].
PRICE 29
DESCRIPTION 2,6-Dimethylquinoline is a natural product extracted from the roots of Peucedantu praeruptorum. 2,6-Dimethylquinoline is an inhibitor of CYP1A2 and CYP2B6 with an IC50 of 3.3 and 480 ??M, respectively.
DESCRIPTION 2,6-Dimethylquinoline is a CYP1A2 inhibitor with an IC50 of 3.3 µM. It also inhibits CYP2E1 activity with an IC50 = 48 µM. (Enamine Bioactive Compounds)
DESCRIPTION Inhibitory concentration against recombinant human cytochrome P450 1A2 (TargetMol Bioactive Compound Library)
Compound Sets
4
Enamine Bioactive Compounds
EBC-14415
MedChem Express Bioactive Compound Library
HY-W010195
Selleckchem Bioactive Compound Library
2-6-dimethylquinoline
TargetMol Bioactive Compound Library
0325-0346
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
157.09
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
2
cLogP
2.85
TPSA
12.89
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Cytochrome P450
P450 (e.g. CYP17)
Pathway
Metabolic Enzyme/Protease
Source data