FDA上市及药典收录分子库

FDA-Approved & Pharmacopeia Drug Library

产品编号： L1010

传统的药物开发涉及从头确认和验证新分子实体，这是一个耗时且成本高昂的过程，随着对药物安全性及有效性的要求不断提高，开发新药的成本还将持续上涨。由于时间和成本大幅降低，近年来药物功能重定位受到越来越多关注，高内涵筛选、新的生物标志物发现和生物信息学的快速发展为基于靶点或细胞的药物重定位创造了机会。

上市药物都具有已知的和良好表征的生物活性、安全性和生物利用度，这些特征可以显著加速药物开发和优化，从上市药物中筛出的苗头化合物将为后续的药物优化计划提供有利的线索。此外，由于活性明确，靶点已知，很多科学家会从上市药物库中选择可以用于细胞诱导分化的小分子，通过单一或几个小分子的联合作用，选择出将各种体细胞诱导成为诱导多能干细胞、神经前体细胞、心肌细胞等，甚至还有使用小分子组合在体内完成诱导分化的成功尝试。

TargetMol FDA 上市及药典收录分子库收集了3157 个FDA、EMA、PMDA、NMPA 等多个国家药监局批准上市的药物以及USP、EP、BP、JP、CP 等药典收录的药物分子，可用于老药新用及细胞诱导。

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。

产品规格

技术资料

陶术生物化合物库目录(28.1MB)

库化合物信息

Excel

SDF

产品描述

3157个上市及药典分子集合，可用于高通量筛选和高内涵筛选；
所有化合物得到FDA、EMA、CFDA等权威部门审批或收录在USP、EP，BP、JP、CP等药典文献中；
老药新用、细胞诱导的有效工具；
涵盖多个研究领域：肿瘤、心血管药物、抗炎/免疫、神经系统药物、呼吸系统药物等；
详细的说明书，化合物结构、靶点信息、IC50值、活性描述等；
结构多样，药效显著，可渗透细胞；
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

Antibacterial (470)

Antibiotic (424)

Autophagy (360)

Endogenous Metabolite (315)

Apoptosis (294)

5-HT Receptor (169)

Adrenergic Receptor (165)

AChR (144)

COX (135)

Parasite (133)

Histamine Receptor (115)

Dopamine Receptor (112)

Antifungal (109)

HIV Protease (91)

Calcium Channel (84)

Sodium Channel (84)

DNA/RNA Synthesis (81)

Potassium Channel (79)

NF-κB (58)

Topoisomerase (54)

Reactive Oxygen Species (52)

Estrogen/progestogen Receptor (51)

Influenza Virus (51)

P450 (51)

Ferroptosis (47)

Glucocorticoid Receptor (47)

PDE (45)

SARS-CoV (45)

RAAS (41)

GABA Receptor (41)

Dehydrogenase (39)

Mitophagy (36)

EGFR (35)

VEGFR (34)

HCV Protease (33)

HSV (32)

ribosome (32)

c-Kit (32)

PPAR (30)

Serotonin Transporter (30)

PDGFR (30)

Nucleoside Antimetabolite/Analog (29)

AChE (29)

Prostaglandin Receptor (29)

Microtubule Associated (29)

Estrogen Receptor/ERR (28)

Reverse Transcriptase (28)

Virus Protease (27)

MAO (27)

Progesterone Receptor (26)

Antioxidant (24)

HBV (24)

Norepinephrine (24)

Proteasome (23)

ATPase (22)

iGluR (22)

Antifection (22)

FGFR (20)

TNF (20)

Proton pump (19)

Carbonic Anhydrase (19)

TRP/TRPV Channel (19)

JAK (19)

Androgen Receptor (19)

HDAC (19)

Monoamine Oxidase (19)

MMP (18)

FLT (18)

PKC (17)

Opioid Receptor (17)

Thrombin (17)

Transferase (16)

Src (16)

DNA Alkylator/Crosslinker (16)

Adenosine Receptor (16)

Phosphatase (16)

Bcr-Abl (16)

ROS (16)

c-Met/HGFR (15)

Tyrosine Kinases (15)

DPP-4 (15)

IL Receptor (15)

Antiviral (15)

Drug Metabolite (14)

NMDAR (14)

GluR (14)

HIF/HIF Prolyl-Hydroxylase (14)

PI3K (13)

MRP (13)

CDK (13)

Lipoxygenase (13)

NO Synthase (13)

GNRH Receptor (12)

ERK (12)

Raf (12)

Retinoid Receptor (12)

AMPK (12)

Phospholipase (12)

HMG-CoA Reductase (12)

Tyrosinase (12)

Thyroid hormone receptor(THR) (11)

DHFR (11)

Amino Acids and Derivatives (11)

PARP (11)

Antifolate (11)

Interleukin (11)

SGLT (11)

P-gp (11)

ALK (11)

Beta Amyloid (11)

STAT (11)

Mitochondrial Metabolism (10)

mTOR (10)

Akt (10)

Nrf2 (10)

Factor Xa (9)

DNA gyrase (9)

BTK (9)

DNA Alkylation (9)

CaMK (9)

c-RET (9)

MEK (9)

Chloride channel (8)

CAT (8)

p38 MAPK (8)

P2Y Receptor (8)

ABC (8)

Serine Protease (8)

TLR (8)

HER (8)

NADPH (7)

PKA (7)

Cysteine Protease (7)

Monoamine Transporter (7)

Trk receptor (7)

GPR (7)

Neurokinin receptor (7)

DNA Methyltransferase (7)

TAM Receptor (7)

CFTR (7)

S1P Receptor (7)

Histone Methyltransferase (6)

LPL Receptor (6)

Reductase (6)

Glutathione Peroxidase (6)

Caspase (6)

ROCK (6)

P2X Receptor (6)

BCL (6)

Hedgehog/Smoothened (6)

Endothelin Receptor (6)

TGF-beta/Smad (6)

HSP (6)

IκB/IKK (6)

Integrin (5)

GSK-3 (5)

CaSR (5)

Wnt/beta-catenin (5)

Serine/threonin kinase (5)

FXR (5)

Annexin A (5)

Guanylate cyclase (5)

Fatty Acid Synthase (5)

Vasopressin Receptor (5)

Xanthine Oxidase (5)

DNA (5)

Lipid (5)

PGE Synthase (5)

Hydroxylase (5)

HIF (5)

Anti-infection (5)

Ras (5)

FAK (5)

ROS Kinase (5)

NOS (4)

Cell wall (4)

Histone Demethylase (4)

Melatonin Receptor (4)

Aryl Hydrocarbon Receptor (4)

UGT (4)

Gamma-secretase (4)

MT Receptor (4)

Smo (4)

GPCR19 (4)

Decarboxylase (4)

Neprilysin (4)

Oxytocin Receptor (4)

Cannabinoid Receptor (4)

NOD (4)

Sigma receptor (4)

AhR (4)

NOD-like Receptor (NLR) (4)

Imidazoline Receptor (4)

CETP (3)

JNK (3)

Leukotriene Receptor (3)

LDL (3)

Na-K-Cl cotransporter (3)

Glucosidase (3)

Hexokinase (3)

Molecular Glues (3)

Isocitrate Dehydrogenase (IDH) (3)

PAK (3)

CCR (3)

Aurora Kinase (3)

IGF-1R (3)

Free radical scavengers (3)

Aminopeptidase (3)

Sirtuin (3)

GluCls (3)

GST (3)

Ligand for E3 Ligase (3)

c-Fms (3)

Aromatase (3)

Adenosine deaminase (3)

Gap Junction Protein (3)

Syk (3)

cholecystokinin (3)

p53 (3)

PKM (3)

Monocarboxylate transporter (2)

ROR (2)

CRM1 (2)

Ligands for Target Protein for PROTAC (2)

YAP (2)

Arginase (2)

LTR (2)

IFNAR (2)

DYRK (2)

TOPK (2)

Rho (2)

Immunology/Inflammation related (2)

IRE1 (2)

Adiponectin receptor (2)

Phosphorylase (2)

GlyT (2)

Integrase (2)

CXCR (2)

Somatostatin (2)

Thrombopoietin Receptor (2)

Epigenetic Reader Domain (2)

DUB (2)

Indoleamine 2,3-Dioxygenase (IDO) (2)

Telomerase (2)

Beta-Secretase (2)

MAPK (2)

Glutathione reductase (2)

OAT (2)

Ephrin Receptor (2)

RSV (2)

Melanocortin Receptor (2)

PDK (2)

PLK (2)

CGRP Receptor (2)

Complement System (2)

Platelet aggregation (2)

S6 Kinase (2)

Protease-activated Receptor (2)

advanced glycation end products (1)

Mdm2 (1)

Taste receptor (1)

NPC1L1 (1)

Hydrogenase (1)

DNA-PK (1)

Dynamin (1)

BACE (1)

Na+/Ca2+ Exchanger (1)

RAR/RXR (1)

Lipase (1)

gp120/CD4 (1)

VDA (1)

N-Acetylglucosaminyltransferase (1)

Hck (1)

Liver X Receptor (1)

Glucokinase (1)

RANKL/RANK (1)

IAP (1)

CSF-1R (1)

Myosin (1)

PAFR (1)

MTH1 (1)

GRK (1)

Glucagon Receptor (1)

Anion Exchanger (1)

PROTAC Linker (1)

FAAH (1)

Bradykinin Receptor (1)

Angiotensin-converting Enzyme (ACE) (1)

Chk (1)

OX Receptor (1)

PAD (1)

Epoxide Hydrolase (1)

ACK (1)

cAMP (1)

ATP Citrate Lyase (1)

Acyltransferase (1)

STING (1)

Histone Acetyltransferase (1)

transporter (1)

Pyroptosis (1)

Casein Kinase (1)

CRISPR/Cas9 (1)

GHSR (1)

Aquaporin (1)

NADPH-oxidase (1)

IRAK (1)

PD-1/PD-L1 (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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