silymarin

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Stem definition	Drug id	CAS RN
	2443	65666-07-1

Stem definition

Drug id

CAS RN

2443

65666-07-1

Description:

Molecule	Description
Synonyms: silymarin	A mixture of flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum. It consists primarily of silybin and its isomers, silicristin and silidianin. Silymarin displays antioxidant and membrane stabilizing activity. It protects various tissues and organs against chemical injury, and shows potential as an antihepatoxic agent. Molecular weight: Formula: CLOGP: LIPINSKI: None HAC: None HDO: None TPSA: ALOGS: ROTB: None

Molecule

Description

Synonyms:

silymarin

A mixture of flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum. It consists primarily of silybin and its isomers, silicristin and silidianin. Silymarin displays antioxidant and membrane stabilizing activity. It protects various tissues and organs against chemical injury, and shows potential as an antihepatoxic agent.

Molecular weight:
Formula:
CLOGP:
LIPINSKI: None
HAC: None
HDO: None
TPSA:
ALOGS:
ROTB: None

Pharmacologic Action:

Source	Code	Description
ATC	A05BA03	ALIMENTARY TRACT AND METABOLISM BILE AND LIVER THERAPY LIVER THERAPY, LIPOTROPICS Liver therapy
MeSH PA	D000975	Antioxidants
MeSH PA	D020011	Protective Agents
CHEBI has role	CHEBI:22586	antioxidants
CHEBI has role	CHEBI:35610	antineoplastic agents
CHEBI has role	CHEBI:62868	hepatoprotective agents
CHEBI has role	CHEBI:76924	plant metabolites

Source

Code

Description

ATC

A05BA03

ALIMENTARY TRACT AND METABOLISM
BILE AND LIVER THERAPY
LIVER THERAPY, LIPOTROPICS
Liver therapy

MeSH PA

D000975

Antioxidants

MeSH PA

D020011

Protective Agents

CHEBI has role

CHEBI:22586

antioxidants

CHEBI has role

CHEBI:35610

antineoplastic agents

CHEBI has role

CHEBI:62868

hepatoprotective agents

CHEBI has role

CHEBI:76924

plant metabolites

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Urokinase-type plasminogen activator	Enzyme	P00749	UROK_HUMAN	IC50	4.68	CHEMBL
Carbonic anhydrase 2	Enzyme	P00918	CAH2_HUMAN	Ki	5.60	CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN	Ki	5.83	CHEMBL
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN	Ki	5.05	CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN	Ki	4.99	CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN	Ki	5.04	CHEMBL
Prothrombin	Enzyme	P00734	THRB_HUMAN	Kd	4.73	CHEMBL
Carbonic anhydrase 5A, mitochondrial	Enzyme	P35218	CAH5A_HUMAN	Ki	5.39	CHEMBL
Carbonic anhydrase 5B, mitochondrial	Enzyme	Q9Y2D0	CAH5B_HUMAN	Ki	5.34	CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN	Ki	5.33	CHEMBL
Carbonic anhydrase 3	Enzyme	P07451	CAH3_HUMAN	Ki	5.19	CHEMBL
Carbonic anhydrase 6	Enzyme	P23280	CAH6_HUMAN	Ki	5.01	CHEMBL
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN	Ki	4.93	CHEMBL
Carbonic anhydrase 13	Enzyme	Q8N1Q1	CAH13_HUMAN	Ki	5.32	CHEMBL
Polyphenol oxidase 2	Enzyme		PPO2_AGABI	Ki	6.16	CHEMBL
Carbonic anhydrase 15	Enzyme		CAH15_MOUSE	Ki	6.19	CHEMBL
Xanthine dehydrogenase/oxidase	Enzyme		XDH_RAT	IC50	4.10	CHEMBL
P-glycoprotein 3	Transporter		MDR1A_MOUSE	Kd	5.17	CHEMBL
Solute carrier family 2, facilitated glucose transporter member 4	Transporter		GLUT4_MOUSE	Ki	4.22	CHEMBL

Target

Class

Pharos

UniProt

Action

Type

Activity value
(-log[M])

Mechanism
action

Bioact source

MoA source

Urokinase-type plasminogen activator

Enzyme

P00749

UROK_HUMAN

IC50

4.68

CHEMBL

Carbonic anhydrase 2

Enzyme

P00918

CAH2_HUMAN

5.60

CHEMBL

Carbonic anhydrase 1

Enzyme

P00915

CAH1_HUMAN

5.83

CHEMBL

Carbonic anhydrase 4

Enzyme

P22748

CAH4_HUMAN

5.05

CHEMBL

Carbonic anhydrase 9

Enzyme

Q16790

CAH9_HUMAN

4.99

CHEMBL

Carbonic anhydrase 12

Enzyme

O43570

CAH12_HUMAN

5.04

CHEMBL

Prothrombin

Enzyme

P00734

THRB_HUMAN

4.73

CHEMBL

Carbonic anhydrase 5A, mitochondrial

Enzyme

P35218

CAH5A_HUMAN

5.39

CHEMBL

Carbonic anhydrase 5B, mitochondrial

Enzyme

Q9Y2D0

CAH5B_HUMAN

5.34

CHEMBL

Carbonic anhydrase 7

Enzyme

P43166

CAH7_HUMAN

5.33

CHEMBL

Carbonic anhydrase 3

Enzyme

P07451

CAH3_HUMAN

5.19

CHEMBL

Carbonic anhydrase 6

Enzyme

P23280

CAH6_HUMAN

5.01

CHEMBL

Carbonic anhydrase 14

Enzyme

Q9ULX7

CAH14_HUMAN

4.93

CHEMBL

Carbonic anhydrase 13

Enzyme

Q8N1Q1

CAH13_HUMAN

5.32

CHEMBL

Polyphenol oxidase 2

Enzyme

PPO2_AGABI

6.16

CHEMBL

Carbonic anhydrase 15

Enzyme

CAH15_MOUSE

6.19

CHEMBL

Xanthine dehydrogenase/oxidase

Enzyme

XDH_RAT

IC50

4.10

CHEMBL

P-glycoprotein 3

Transporter

MDR1A_MOUSE

5.17

CHEMBL

Solute carrier family 2, facilitated glucose transporter member 4

Transporter

GLUT4_MOUSE

4.22

CHEMBL

ID	Source
N0000167027	NUI
C0037135	UMLSCUI
CHEBI:9144	CHEBI
CHEMBL9509	ChEMBL_ID
CHEMBL4630684	ChEMBL_ID
D012838	MESH_DESCRIPTOR_UI
5213	PUBCHEM_CID
9794	RXNORM
NOCODE	MMSL
004366	NDDF

Source

N0000167027

NUI

C0037135

UMLSCUI

CHEBI

ChEMBL_ID

ChEMBL_ID

MESH_DESCRIPTOR_UI

PUBCHEM_CID

RXNORM

NOCODE

MMSL

004366

NDDF

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silymarin 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Description:

Drug dosage:

ADMET properties:

Predicted pharmacokinetic/toxicological properties (PK-AZ):

Approvals:

FDA Adverse Event Reporting System (Female)

FDA Adverse Event Reporting System (Male)

FDA Adverse Event Reporting System (Geriatric)

FDA Adverse Event Reporting System (Pediatric)

Pharmacologic Action:

Related Drugs by ATC class:

Drug Use | Suggest Off label Use Form| |View source of the data|

🐶 Veterinary Drug Use

🐶 Veterinary products

Acid dissociation constants calculated using MoKa v3.0.0

Orange Book patent data (new drug applications)

Orange Book exclusivity data (new drug applications)

Bioactivity Summary:

External reference:

Pharmaceutical products: