Drug Fragment Library
The MCE 1K Drug Fragment Library consists of 1,383 drug fragments. These drug fragments are derived from 2,946 FDA-approved drug molecules, and fragments from one drug can appear in other drugs, so these fragments are somewhat correlated with good PK/PD properties. Fragment-based screening can reserve enough chemical space for subsequent structural optimization. This compound library is an essential tool for drug screening based on FBDD (Fragment-Based Drug Discovery).
For pre-dissolved solutions, 10 mM for compounds with the solubility not lower than 10 mM, and 2 mM for compounds with solubility between 2 mM and 10 mM.
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To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Description & Advantages
• These fragments are derived from 2,946 FDA-approved drug molecules by BRICS and Recap algorithm and the simple fragment were removed.
• More than 600 fragments compatible with “Rule of three”, with multiple characteristics such as the molecular weight <300, the number of hydrogen bond donors and acceptors ≤3, the number of rotatable bonds ≤ 3, and cLogP <3.
• Provide a compound library based on fragment derivation and custom synthesis services, aiming to reduce your synthesis costs and shorten research and development time.
• NMR and HPLC validated to ensure high purity and quality.
Product Details
A collection of 1,168 compounds supplied as pre-dissolved DMSO solutions.
Solution: 1,328 compounds supplied in 10 mM solution, 4 compounds supplied in 2 mM solution.
96- or 384-well Plate with Peelable Foil Seal; 96-well Format Sample Storage Tube With Screw Cap and Optional 2D Barcode.
Composition
Endogenous Metabolite (120)
Environmental Pollutants (101)
Bacterial (86)
Drug Intermediate (79)
Apoptosis (54)
Antibiotic (43)
Parasite (33)
Fungal (32)
Autophagy (29)
Drug Metabolite (25)
Drug Derivative (15)
Adrenergic Receptor (12)
NF-κB (12)
COX (11)
DNA/RNA Synthesis (11)
5-HT Receptor (10)
Cytochrome P450 (10)
HIV (10)
Influenza Virus (10)
ERK (9)
GABA Receptor (9)
MOFs (9)
p38 MAPK (9)
Ferroptosis (8)
TNF Receptor (8)
Akt (7)
AMPK (7)
Calcium Channel (7)
iGluR (7)
Caspase (6)
Mitophagy (6)
PARP (6)
PROTAC Linkers (6)
Amyloid-β (5)
HSV (5)
mAChR (5)
MMP (5)
Sodium Channel (5)
Virus Protease (5)
Fluorescent Dye (4)
HDAC (4)
Insecticide (4)
Keap1-Nrf2 (4)
mTOR (4)
NO Synthase (4)
TGF-beta/Smad (4)
Arginase (3)
Bcl-2 Family (3)
CDK (3)
HCV (3)
JNK (3)
nAChR (3)
PKC (3)
SARS-CoV (3)
STAT (3)
TRP Channel (3)
Aminopeptidase (2)
Beta-lactamase (2)
Flavivirus (2)
Glycosidase (2)
GSK-3 (2)
HSP (2)
IKK (2)
Na+/K+ ATPase (2)
Notch (2)
Opioid Receptor (2)
Organoid (2)