|
These groups of compounds possess
structural features and molecular
lattices that are representative of
agents described in the patent and/or
technical literature with the activity
designated below. In addition,
medicinal chemistry judgment has also
been implemented in the selection
process to provide libraries that
promise lead identification in an
expedited manner. These groups have
also been filtered to contain only
those compounds that fall within
favorable molecular weight parameters.
Currently available libraries include:
Kinase Modulators
Among the many strategies to cancer
therapeutics, protein kinase
inhibition has emerged as particularly
viable and promising approach. This
interest has been stimulated by an
understanding of the key role this
broad family of phosphorylating
enzymes plays in controlling
proliferative processes, as well as
the success of agents like GleevecTM,
imatinib in the treatment chronic
myleloid leukemia and certain solid
tumors. Along with this tyrosine
kinase inhibitor, many other agents
that inhibit this, and other cell
cycle regulating kinases CDK's, are
currently being developed for the
treatment of cancer and immune system
disorders.
To meet the interest and needs of
investigators who are trying to
identify low molecular weight,
drug-like molecules with the ability
to inhibit protein kinases, TimTec has
assembled a variety of agents with
chemical lattices found in compounds
with reported kinase activity.
|
Kinase
|
Lattice
type
|
|
Contact
us if you are interested in a
chemical diversity selection
of structures from the
different kinase libraries
assembled as 5, 10 and 20
plate sets
|
|
Tyrosine /
CDK
|
Various
|
|
CDK
|
Adenines
|
|
p38 MAP
|
4,5-Diarylimidazoles
|
|
Raf
|
Diarylureas
|
|
CDK
|
Flavones
|
|
CDK
|
Isoflavones
|
|
CDK
|
2-Aminothiazoles
|
|
Ser/Thr
|
NaphthSONH
|
|
CDK / PASS* >0.50
|
CDK
isoxazolidinine subset
CDK aminothiazole subset
|
|
Tyrosine /
PASS >0.50
|
Various
|
|
p38MAP /
PASS >0.50
|
Various
|
|
PKC / PASS >0.50
|
Various
|
*PASS: Software that
predicts biological activity based on
structural similarity to compounds
reported to have the specified
activity.
GPCR Ligands
G-protein coupled receptors are a
ubiquitous super family of proteins
with hundreds of members having been
identified and cloned. These receptors
generally have a seven-membrane
spanning alpha-helical topography, and
while these receptors are similar in
overall structure and function, they
differ in key amino acid residues. The
potential for this super family of
receptors to reveal small molecule
modulators of a significant biological
function has been responsible the
focus of intense drug discovery
efforts.
Compounds with structural features and
molecular lattices that are present in
a large number molecules described in
both the patent and technical
literature that possess GPCR activity
have been identified, and assembled as
indicated below.
|
GPCR
|
Lattice
type
|
|
Contact
us if you are interested in a
chemical diversity selection
of structures from the
different GPCR libraries
assembled as 5, 10 and 20
plate sets
|
|
CRF
/ NPY
|
Ar-X-Ar
|
|
CRF
|
4-Ar-2-aminothiazole
|
|
5HT
5HT
|
Indolines
gamma-Carbolines
|
|
5HT
|
5-Substituted
indoles
|
|
5HT
|
4-ArylpiperazinesNH
|
|
5HT
|
Aminoethylbenzamides
|
|
5HT
|
Aminopropylbenzamides
|
|
BDZ-like
|
Fused 6,7
ring systems
|
|
Various
|
Spiro systems
|
|
Various
|
Aryl/Heteroarylpiperazines
|
|
Various
|
Benzylpiperazines
|
|
Various
|
4-Aryl/heteroarylpiperidines
|
|
Various
|
4-OH-4Phe-piperidines
|
|
Various
|
Tetrahydroisoquinolines
|
|
Chemokine
|
Diarylureas
|
Anti-infectives
Low molecular weight, drug-like
molecules with scaffolds found in
agents with the indicated activity
have been assembled.
|
Mechanism
|
Lattice
type
|
|
IMDH
inhibition
|
Diarylureas
|
| Protein
synthesis inhibition |
Isoxazolidinones
|
Potassium Channel Modulators
Low molecular weight, drug-like
molecules with chemical lattices found
in agents with the posted channel
activity have been assembled.
|
Channel
|
Lattice
type
|
|
Kv1.5
|
PhQNHPh
|
|
Kv1.5
|
Ph-thiazolidinones
|
|
Kv1.5
|
PhQNHCHPh
|
|
Kv1.5
|
Aminopyridines
|
|
IKr
|
RSO2NHPh
|
Protease Inhibitors
To meet the interest and needs of
investigators who are trying to
identify low molecular weight,
drug-like molecules with the ability
to inhibit various proteases, TimTec
has assembled a library of compounds
with potential protease inhibitory
activity.
|
Protease
|
Lattice
type
|
|
Coagulation
Cascade
|
Various
|
|
Aspartyl
|
N-AcAla
|
|
MMP
|
Succinate-OH
|
|
MMP
|
AcylGly-OH
|
|
MMP
|
SulfonyGly-OH
|
|
MMP
|
N-ArethylGly-OH
|
|
MMP
|
Pryrimidine-trione
|
|
Targeted Compound Libraries