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ro5_drug-like_natural_product_library
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RO5 Drug-like Natural Product Library
Product No.: L6160

Natural products are important sources of lead compounds and drug candidates. They have complex scaffold structures and rich functional groups. Their structures are unique, and most of them are chiral. These naturally occurring advantages provide more diverse options for the transformation of natural products into drugs, and are also the reasons why natural products play an important role in drug development and research.

Based on the structural diversity and novelty of natural products, TargetMol used the druglikeness prediction index "Lipinski's Rule of Five" to select 2703 natural product monomers with good druggabilities, covering diverse structures from vast sources such as terpenes and alkaloids. The library is consisted of monomers with both biological activity and drug-like properties. It is a powerful tool for subsequent structure-effect optimization and innovative drug research.

Product No.:L6160
  • 2703 is a collection of natural products that meet the "Lipinski's Rule of Five" and have high potential for drug discovery.
  • Most of the NPs have clear biological activities, with various functions including anti-tumor, anti-inflammatory, antioxidant, neuroprotection and more.
  • Structural diversity, containing flavonoids, saponins, terpenoids, alkaloids and other categories.
  • Various detection techniques such as NMR, HPLC/LCMS to ensure accurate structure and high purity of the products and reduce false positives.
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Composition of compound library
Autophagy (168)
NF-κB (112)
Antifungal (101)
Antibiotic (81)
Reactive Oxygen Species (73)
Parasite (66)
Antioxidant (61)
COX (60)
P450 (50)
AChR (46)
Influenza Virus (43)
Anti-infection (42)
DNA/RNA Synthesis (40)
AChE (38)
TNF (37)
p38 MAPK (35)
GABA Receptor (33)
IL Receptor (32)
Caspase (31)
ERK (31)
Tyrosinase (31)
Calcium Channel (30)
HIV Protease (29)
Akt (29)
5-HT Receptor (29)
Ferroptosis (28)
STAT (28)
NO Synthase (28)
Estrogen/progestogen Receptor (27)
Adrenergic Receptor (26)
Topoisomerase (26)
Virus Protease (24)
AMPK (24)
TRP/TRPV Channel (22)
Nrf2 (22)
PI3K (21)
PPAR (21)
MMP (21)
Estrogen Receptor/ERR (20)
ROS (20)
Lipoxygenase (20)
NOS (19)
Dopamine Receptor (19)
BCL (19)
PDE (18)
Antifection (18)
PKC (17)
Potassium Channel (17)
Dehydrogenase (16)
JNK (16)
PARP (16)
Microtubule Associated (16)
Nucleoside Antimetabolite/Analog (15)
HSV (15)
EGFR (15)
Mitophagy (14)
Adenosine Receptor (13)
Histamine Receptor (13)
iGluR (13)
Drug Metabolite (13)
Prostaglandin Receptor (13)
HDAC (13)
Amino Acids and Derivatives (12)
Glucosidase (12)
Mitochondrial Metabolism (12)
Antiviral (12)
Sodium Channel (12)
Wnt/beta-catenin (11)
VEGFR (11)
MAO (11)
GluR (11)
Androgen Receptor (11)
P-gp (11)
HIF/HIF Prolyl-Hydroxylase (11)
ATPase (10)
Immunology/Inflammation related (10)
Glucocorticoid Receptor (10)
NMDAR (10)
JAK (10)
HBV (9)
CDK (9)
SARS-CoV (9)
Monoamine Oxidase (9)
Opioid Receptor (8)
Sirtuin (8)
HCV Protease (7)
Progesterone Receptor (7)
TGF-beta/Smad (7)
TLR (7)
Phospholipase (7)
NOD (7)
Chloride channel (6)
PKA (6)
Fatty Acid Synthase (6)
mTOR (6)
Indoleamine 2,3-Dioxygenase (IDO) (6)
Interleukin (6)
MAPK (6)
IκB/IKK (6)
Beta Amyloid (6)
GPR (6)
HIF (6)
HMG-CoA Reductase (6)
Carbonic Anhydrase (5)
Transferase (5)
Src (5)
Reductase (5)
BACE (5)
NADPH (5)
Phosphatase (5)
FXR (5)
Aryl Hydrocarbon Receptor (5)
PAFR (5)
Gamma-secretase (5)
Xanthine Oxidase (5)
transporter (5)
Reverse Transcriptase (5)
Cannabinoid Receptor (5)
Platelet aggregation (5)
AhR (5)
HER (5)
Arginase (4)
c-Met/HGFR (4)
Serine/threonin kinase (4)
UGT (4)
LDL (4)
cAMP (4)
ATP Citrate Lyase (4)
PGE Synthase (4)
HSP (4)
MEK (4)
FGFR (4)
Syk (4)
DNA Methyltransferase (4)
p53 (4)
Thyroid hormone receptor(THR) (3)
Proton pump (3)
DHFR (3)
ROR (3)
Integrin (3)
Glutathione Peroxidase (3)
GSK-3 (3)
MRP (3)
Tyrosine Kinases (3)
Serotonin Transporter (3)
IAP (3)
Hedgehog/Smoothened (3)
CCR (3)
Epigenetic Reader Domain (3)
CaMK (3)
Telomerase (3)
Lipid (3)
Beta-Secretase (3)
Trk receptor (3)
Free radical scavengers (3)
GPCR19 (3)
GST (3)
ribosome (3)
Aromatase (3)
FAK (3)
Imidazoline Receptor (3)
Proteasome (2)
LTR (2)
DYRK (2)
RAAS (2)
gp120/CD4 (2)
c-Myc (2)
Serine Protease (2)
Cysteine Protease (2)
RANKL/RANK (2)
Amylase (2)
E1/E2/E3 Enzyme (2)
Phosphorylase (2)
DNA gyrase (2)
Smo (2)
DPP-4 (2)
PDGFR (2)
PAK (2)
FAAH (2)
CXCR (2)
Aurora Kinase (2)
IGF-1R (2)
DNA (2)
OAT (2)
Aminopeptidase (2)
Decarboxylase (2)
PAI-1 (2)
Casein Kinase (2)
ATM/ATR (2)
PDK (2)
Ras (2)
Thrombin (2)
NOD-like Receptor (NLR) (2)
PKM (2)
advanced glycation end products (1)
Mdm2 (1)
Adenylyl cyclase (1)
CAT (1)
Transaminase (1)
Monocarboxylate transporter (1)
Hydrogenase (1)
CD38 (1)
CYP19A1 (1)
LPL Receptor (1)
DNA Alkylator/Crosslinker (1)
P2Y Receptor (1)
aconitase (1)
RAR/RXR  (1)
Factor Xa (1)
Melatonin Receptor (1)
OCT (1)
ABC (1)
Pim (1)
Antifolate (1)
Liver X Receptor (1)
Leukotriene Receptor (1)
IDO (1)
Prolyl Endopeptidase (PREP) (1)
IRE1 (1)
Adiponectin receptor (1)
Raf (1)
MT Receptor (1)
P2X Receptor (1)
GlyT (1)
Hexokinase (1)
Monoamine Transporter (1)
Stearoyl-CoA Desaturase (SCD) (1)
Somatostatin (1)
PAD (1)
Norepinephrine (1)
SGLT (1)
BCRP (1)
Acyltransferase (1)
Histone Acetyltransferase (1)
hCE (1)
Pyroptosis (1)
ALK (1)
Carboxypeptidase (1)
Retinoid Receptor (1)
CRISPR/Cas9 (1)
Hydroxylase (1)
PLK (1)
ATTECs (1)
Neurokinin receptor (1)
NMU2R (1)
FLT (1)
NADPH-oxidase (1)
IRAK (1)
S6 Kinase (1)
ROS Kinase (1)
CFTR (1)
PD-1/PD-L1 (1)
S1P Receptor (1)
Example of compound library information
Empty 1000025-07-9 1000413-72-8 229005-80-5 1000787-75-6 946387-07-1 1000998-59-3 1175526-27-8 1001288-58-9 1001350-96-4 1001404-83-6 Empty
Vadadustat TAK875 TAK-779 Tegobuvir RN-1734 BMS-687453 AM211 FT011 BMS754807 AAI101
Empty 1001625-82-6 1001645-58-4 1001753-24-7 1001908-89-9 1002304-34-8 1002-84-2 100291-86-9 100299-08-9 10030-52-1 10040-45-6 Empty
RPW-24 SRT1720 hydrochloride INH6 SRT 2183 AMG208 Pentadecanoic acid Apiopaeonoside Pemirolast potassium L-Anserine nitrate salt Sodium Picosulfate
Empty 100427-26-7 1004316-88-4 10045-45-1 100462-37-1 1004990-28-6 100-51-6 1005-24-9 1005264-47-0 1005334-57-5 1005342-46-0 Empty
Lercanidipine Cobicistat 1-Ethyl-2-benzimidazolinone ROSIRIDIN PF-AKT400 Benzyl alcohol 1-Methylnicotinamide chloride MX69 CVT-10216 LCL161
Empty 1005491-05-3 100-55-0 1005504-62-0 1005883-72-6 100643-71-8 1007207-67-1 10075-50-0 1007647-73-5 100784-20-1 10083-24-6 Empty
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