Ro5类药天然产物库

RO5 Drug-like Natural Product Library

产品编号： L6160

天然产物是先导化合物及候选药物的重要来源，其骨架结构复杂，官能团丰富，结构独特，多具有手性。这些自然形成的优势，为天然产物向药物的转化提供了更加多样的选择, 也是天然产物在药物开发与研究中发挥着重要作用的原因。

TargetMol 应用类药性评价指标“Lipinski 五规则”，基于天然产物结构的多样性和新颖性，优选出符合 RO5原则的 2703 个成药性良好的天然产物单体，涵盖萜类，生物碱类等多种结构类型，兼具生物活性和类药性，是新药发现、药物筛选和创新药物研究的有力工具。

陶术生物的所有产品和服务仅用于科学研究，我们不为任何个人用途提供产品和服务。

产品编号：L6160

技术资料

陶术生物化合物库目录(28.1MB)

库化合物信息

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产品描述

2703种符合“Lipinski 五规则”的天然产物集合，成药潜力高；
大部分化合物生物活性明确，具有抗肿瘤、抗炎、抗氧化、神经保护等多种功能；
结构多样，包含黄酮、皂苷、萜类、生物碱等类别；
NMR、HPLC/LCMS等多种检测技术保证产品结构正确，纯度高，减少假阳性。

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化合物库组成

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)

化合物库信息示例

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
Empty	Vadadustat	TAK875	TAK-779	Tegobuvir	RN-1734	BMS-687453	AM211	FT011	BMS754807	AAI101	Empty
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
Empty	RPW-24	SRT1720 hydrochloride	INH6	SRT 2183	AMG208	Pentadecanoic acid	Apiopaeonoside	Pemirolast potassium	L-Anserine nitrate salt	Sodium Picosulfate	Empty
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
Empty	Lercanidipine	Cobicistat	1-Ethyl-2-benzimidazolinone	ROSIRIDIN	PF-AKT400	Benzyl alcohol	1-Methylnicotinamide chloride	MX69	CVT-10216	LCL161	Empty
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
Empty	Tirasemtiv	Roniacol	Rg3039	Z433927330	Desloratadine	CH5132799	5-Bromoindole	Smurf1-IN-A01	Halosulfuron-methyl	Piceatannol	Empty
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
Empty	ML346	SB 4	Daclatasvir	Daclatasvir dihydrochloride	NADPH (tetracyclohexanamine)	AZD8055	Vistusertib	PAβN dihydrochloride	HZ1157	Rotundine	Empty
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
Empty	Thiamet G	B-AP15	Silmitasertib	Levofloxacin	Pamicogrel	GSK369796 Dihydrochloride	2-Chloronaphthoquinone	TFAP	Tenovin3	Azvudine	Empty
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
Empty	Milnacipran hydrochloride	BW-A78U	Tenovin-6	DL-Normetanephrine hydrochloride	Triclocarban	CUDC101	Chlorpropham	Mestinon	Zacopride hydrochloride	PF04691502	Empty
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
Empty	L-Hyoscyamine	Noreugenin	ML-030	BC-1382	Gadolinium chloride	Vorolanib	VTP-27999 TFA	GSK0660	Lomerizine hydrochloride	8-CHLOROQUINAZOLIN-4(1H)-ONE	Empty

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