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SmartTM Library

カタログ番号 DO1200
  ライブラリー構成化合物リスト   Excel SDF

Target-based high-throughput screening is a crucial strategy in drug discovery, and using a single-target library for screening is a common practice. However, it comes with limitations: 1) a relatively limited number of compounds, 2) unsuitable for multi-target pathway studies, 3) overemphasizing a specific target may overlook other chemically unexplored structures, potentially missing out promising hit compounds, 4) only applicable to a single screening purpose, leading to lower utilization and increased R&D costs. In contrast, phenotype-based screening with broader target coverage significantly enhances the success rate of screening.

Designed based on the targeted diversity concept and existing data, TargetMol’s SmartTM Library screens 1.6 million compounds to obtain 50,000 drug-like small molecules using various tools, such as: virtual screening, structural biology, in vitro tests, cell-based assays and phenotype prediction. These molecules cover over 300 drug targets and are organized into five sets (“Non-human target” Set, “Natural Product inspired scaffold” Set, Single target-based Set, Recognition Motif Set, and “Special” Sets).

A major benefit of the Smart Library approach is that it represents a multi-purpose diversity set, incorporated it into one single compound library for different screening goals. Those goals may include: “Difficult” targets related to study and interrogation of cellular processes; Signaling pathways and “eclectic” biological targets; protein-protein interactions and an entire selected therapeutic area.

The excellent physicochemical properties are a key factor indicating the drug potential of compounds, as compounds with favorable properties can significantly save time in subsequent structure optimization and ADME evaluation to shorten the research period. All compounds in the SmartTM Library undergo rigorous screening and possess excellent drug potential:

1. Molecular weight between 200-500, facilitating subsequent modifications.

2. Moderate number of rotatable bonds (2-9), ensuring good oral bioavailability.

3. cLogP less than 6, indicating good solubility.

4. PSA (Polar Surface Area) between 50-150 Å2, indicating favorable drug transport characteristics.

5. Ring and aromatic ring count conforms to the characteristics of most drug structures.

These small molecules exhibit similarity to drugs in terms of molecular weight, hydrophilicity, and other factors. Additionally, the library offers a solution for establishing a foundation in the early stages of constructing a large screening library due to its large-scale supply and high cost-effectiveness. This foundation supports subsequent drug-like screening and cutting-edge research involving multiple targets and pathways.

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パッケージサイズ
30 μL
100 μL * 10 mM (in DMSO)
250 μL * 10 mM (in DMSO)
If the above compound libraries do not match your needs,
please contact our compound library specialist for a customized compound library at [email protected]
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ライブラリーのカスタマイズ

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梱包・保管

  • バーコード付き貯蔵管や96/384-wellプレートに入っている粉末固体またはDMSO溶液
  • ブルーアイス同梱にて出荷
ライブラリ構成化合物複合リストをリクエスト (DO1200)

化合物ライブラリー情報実例

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Vadadustat TAK875 TAK-779 Tegobuvir RN-1734 BMS-687453 AM211 FT011 BMS754807 AAI101
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RPW-24 SRT1720 hydrochloride INH6 SRT 2183 AMG208 Pentadecanoic acid Apiopaeonoside Pemirolast potassium L-Anserine nitrate salt Sodium Picosulfate
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Lercanidipine Cobicistat 1-Ethyl-2-benzimidazolinone ROSIRIDIN PF-AKT400 Benzyl alcohol 1-Methylnicotinamide chloride MX69 CVT-10216 LCL161
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Tirasemtiv Roniacol Rg3039 Z433927330 Desloratadine CH5132799 5-Bromoindole Smurf1-IN-A01 Halosulfuron-methyl Piceatannol
Empty 100872-83-1 100874-08-6 1009119-64-5 1009119-65-6 100929-71-3 1009298-09-2 1009298-59-2 100929-99-5 1009734-33-1 10097-84-4 Empty
ML346 SB 4 Daclatasvir Daclatasvir dihydrochloride NADPH (tetracyclohexanamine) AZD8055 Vistusertib PAβN dihydrochloride HZ1157 Rotundine
Empty 1009816-48-1 1009817-63-3 1009820-21-6 100986-85-4 101001-34-7 1010411-21-8 1010-60-2 1011244-68-0 1011301-27-1 1011529-10-4 Empty
Thiamet G B-AP15 Silmitasertib Levofloxacin Pamicogrel GSK369796 Dihydrochloride 2-Chloronaphthoquinone TFAP Tenovin3 Azvudine
Empty 101152-94-7 101155-02-6 1011557-82-6 1011-74-1 101-20-2 1012054-59-9 101-21-3 101-26-8 101303-98-4 1013101-36-4 Empty
Milnacipran hydrochloride BW-A78U Tenovin-6 DL-Normetanephrine hydrochloride Triclocarban CUDC101 Chlorpropham Mestinon Zacopride hydrochloride PF04691502
Empty 101-31-5 1013-69-0 1013750-77-0 1013753-99-5 10138-52-0 1013920-15-4 1013937-63-7 1014691-61-2 101477-54-7 101494-95-5 Empty
L-Hyoscyamine Noreugenin ML-030 BC-1382 Gadolinium chloride Vorolanib VTP-27999 TFA GSK0660 Lomerizine hydrochloride 8-CHLOROQUINAZOLIN-4(1H)-ONE