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salicylic acid Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
analgesic anti-inflammatory	2416	69-72-7

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: choline salicylate choline subsalicylate salicylic acid 2-Carboxyphenol 2-Hydroxybenzenecarboxylic acid 2-Hydroxybenzoic acid imidazole salicylate sodium salicylate morpholine salicylate potassium salicylate	A compound obtained from the bark of the white willow and wintergreen leaves. It has bacteriostatic, fungicidal, and keratolytic actions. Molecular weight: 138.12 Formula: C7H6O3 CLOGP: 2.19 LIPINSKI: 0 HAC: 3 HDO: 2 TPSA: 57.53 ALOGS: -1.09 ROTB: 1

Molecule

Description

Molfile Inchi Smiles

Synonyms:

choline salicylate
choline subsalicylate
salicylic acid
2-Carboxyphenol
2-Hydroxybenzenecarboxylic acid
2-Hydroxybenzoic acid
imidazole salicylate
sodium salicylate
morpholine salicylate
potassium salicylate

A compound obtained from the bark of the white willow and wintergreen leaves. It has bacteriostatic, fungicidal, and keratolytic actions.

Molecular weight: 138.12
Formula: C7H6O3
CLOGP: 2.19
LIPINSKI: 0
HAC: 3
HDO: 2
TPSA: 57.53
ALOGS: -1.09
ROTB: 1

Drug dosage:

Dose	Unit	Route
3	g	O
3	g	O
7	g	O

ADMET properties:

Property	Value	Reference
BDDCS (Biopharmaceutical Drug Disposition Classification System)	1	Benet LZ, Broccatelli F, Oprea TI
S (Water solubility)	2.51 mg/mL	Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine)	15 %	Benet LZ, Broccatelli F, Oprea TI
BA (Bioavailability)	99 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H

Approvals:

Date	Agency	Company	Orphan
Jan. 1, 1898	YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Completed suicide	138.64	59.33	30	74	21004	2336977
Toxicity to various agents	89.14	59.33	23	81	32731	2325250

FDA Adverse Event Reporting System (Male)

MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Completed suicide	174.99	140.72	36	48	16276	1730421

Pharmacologic Action:

Source	Code	Description
ATC	D01AE12	DERMATOLOGICALS ANTIFUNGALS FOR DERMATOLOGICAL USE ANTIFUNGALS FOR TOPICAL USE Other antifungals for topical use
ATC	N02BA03	NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives
ATC	N02BA04	NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives
ATC	N02BA08	NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives
ATC	N02BA12	NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives
ATC	N02BA16	NERVOUS SYSTEM ANALGESICS OTHER ANALGESICS AND ANTIPYRETICS Salicylic acid and derivatives
ATC	S01BC08	SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFLAMMATORY AGENTS Antiinflammatory agents, non-steroids
CHEBI has role	CHEBI:35441	antiinfective agent
CHEBI has role	CHEBI:50176	keratolytic drug
MeSH PA	D000700	Analgesics
MeSH PA	D018712	Analgesics, Non-Narcotic
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D000893	Anti-Inflammatory Agents
MeSH PA	D000894	Anti-Inflammatory Agents, Non-Steroidal
MeSH PA	D000935	Antifungal Agents
MeSH PA	D018501	Antirheumatic Agents
MeSH PA	D016861	Cyclooxygenase Inhibitors
MeSH PA	D003879	Dermatologic Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D007641	Keratolytic Agents
MeSH PA	D018373	Peripheral Nervous System Agents
MeSH PA	D018689	Sensory System Agents

Drug Use (View source of the data)

Disease	Relation	SNOMED_ID	DOID
Tinea pedis	indication	6020002	DOID:12403
Pain	indication	22253000
Greasy skin	indication	42273000
Seborrheic dermatitis	indication	50563003	DOID:8741
Allergic rhinitis	indication	61582004
Verruca plantaris	indication	63440008	DOID:13775
Rheumatoid arthritis	indication	69896004	DOID:7148
Common cold	indication	82272006	DOID:10459
Tinea corporis	indication	84849002
Acne vulgaris	indication	88616000
Pityriasis simplex	indication	200767005
Disorder of keratinization	indication	277905003
Fever	indication	386661006
Hyperkeratosis	indication	396228006
Osteoarthritis	indication	396275006
Synovitis	indication	416209007	DOID:2703
Calluses and Corns	indication
Crohn's disease	off-label use	34000006
Tendinitis	off-label use	34840004	DOID:971
Rheumatic fever	off-label use	58718002	DOID:1586
Ulcerative colitis	off-label use	64766004	DOID:8577
Tenosynovitis	off-label use	67801009	DOID:970
Juvenile rheumatoid arthritis	off-label use	410795001
Itching of skin	off-label use	418363000

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	2.81	acidic
pKa2	12.79	acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

Target	Class	Pharos	UniProt	Type	Activity value (-log[M])	Bioact source
Carbonic anhydrase 14	Enzyme	Q9ULX7	CAH14_HUMAN	Ki	4.30	CHEMBL
Carbonic anhydrase 4	Enzyme	P22748	CAH4_HUMAN	Ki	4.95	CHEMBL
Carbonic anhydrase 1	Enzyme	P00915	CAH1_HUMAN	Ki	5	CHEMBL
Carbonic anhydrase 7	Enzyme	P43166	CAH7_HUMAN	Ki	4.09	CHEMBL
Carbonic anhydrase 9	Enzyme	Q16790	CAH9_HUMAN	Ki	4.10	CHEMBL
Carbonic anhydrase 12	Enzyme	O43570	CAH12_HUMAN	Ki	5.06	CHEMBL
Carbonic anhydrase 6	Enzyme	P23280	CAH6_HUMAN	Ki	4.92	CHEMBL
Carbonic anhydrase 2	Enzyme	P00918	CAH2_HUMAN	Ki	5.15	CHEMBL
Salicylic acid-binding protein 2	Enzyme		SABP2_TOBAC			WOMBAT-PK
Carbonic anhydrase 13	Enzyme		CAH13_MOUSE	Ki	4.17	CHEMBL
Carbonic anhydrase 15	Enzyme		CAH15_MOUSE	Ki	5.14	CHEMBL
Polyphenol oxidase 2	Enzyme		PPO2_AGABI	IC50	4	CHEMBL
Solute carrier family 22 member 20	Transporter		S22AK_MOUSE	Ki	4.36	CHEMBL

External reference:

ID	Source
4018663	VUID
N0000146974	NUI
C0036079	UMLSCUI
D00097	KEGG_DRUG
4JVD4X01MJ	UNII
5485	INN_ID
36364-49-5	SECONDARY_CAS_RN
46741005	SNOMEDCT_US
4018663	VANDF
9170	MMSL
9525	RXNORM
5439	MMSL
387253001	SNOMEDCT_US
001951	NDDF
338	PUBCHEM_CID
CHEBI:16914	CHEBI
CHEMBL424	ChEMBL_ID
DB00936	DRUGBANK_ID
CHEMBL447868	ChEMBL_ID
SAL	PDB_CHEM_ID
D012980	MESH_DESCRIPTOR_UI
D020156	MESH_DESCRIPTOR_UI
CHEMBL2104095	ChEMBL_ID
CHEMBL2104788	ChEMBL_ID
CHEMBL3707214	ChEMBL_ID
CHEMBL3707342	ChEMBL_ID
4306	IUPHAR_LIGAND_ID
C015075	MESH_SUPPLEMENTAL_RECORD_UI
DB13860	DRUGBANK_ID
DB14006	DRUGBANK_ID

Pharmaceutical products:

Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
SKIN MEDICA Purifying Foaming Wash	HUMAN OTC DRUG LABEL	1	0023-4948	LIQUID	20 mg	TOPICAL	OTC MONOGRAPH FINAL	8 sections
DHS SAL	HUMAN OTC DRUG LABEL	1	0096-0738	SHAMPOO	0.04 g	TOPICAL	OTC monograph final	8 sections
AcneFree Sensitive	HUMAN OTC DRUG LABEL	2	0187-1612	KIT	15 mg	None	OTC monograph final	10 sections
AcneFree	HUMAN OTC DRUG LABEL	1	0187-1638	LIQUID	2 g	TOPICAL	OTC monograph final	9 sections
AcneFree	HUMAN OTC DRUG LABEL	1	0187-1639	SOLUTION	20 mg	TOPICAL	OTC monograph final	9 sections
AcneFree Body Clearing	HUMAN OTC DRUG LABEL	1	0187-5010	SPRAY	2.84 g	TOPICAL	OTC MONOGRAPH FINAL	9 sections
Ambi Even and Clear Exfoliating Wash	HUMAN OTC DRUG LABEL	1	0187-5471	CREAM	5 mg	TOPICAL	OTC monograph final	9 sections
Ambi Even and Clear Foaming Cleanser	HUMAN OTC DRUG LABEL	1	0187-5472	LIQUID	5 mg	TOPICAL	OTC MONOGRAPH FINAL	9 sections
CLENZIDERM DAILY CARE FOAMING CLEANSER	HUMAN OTC DRUG LABEL	1	0187-6100	LIQUID	20 mg	TOPICAL	OTC monograph final	9 sections
CLENZIDERM PORE THERAPY	HUMAN OTC DRUG LABEL	1	0187-6102	SOLUTION	20 mg	TOPICAL	OTC monograph final	10 sections
CLENZIDERM M.D. SYSTEM	HUMAN OTC DRUG LABEL	3	0187-6103	KIT	20 mg	None	OTC monograph final	10 sections
CLENZIDERM M.D. SYSTEM	HUMAN OTC DRUG LABEL	3	0187-6103	KIT	20 mg	None	OTC monograph final	10 sections
Zapzyt Acne Wash Cleanser	HUMAN OTC DRUG LABEL	1	0295-0071	GEL	2 g	TOPICAL	OTC monograph final	9 sections
Almay Clear Complexion Liquid Makeup for Oily Skin	HUMAN OTC DRUG LABEL	1	0311-0715	LIQUID	0.50 mg	TOPICAL	OTC monograph final	7 sections
Almay Clear Complexion Blemish Healing Spot Concealer	HUMAN OTC DRUG LABEL	1	0311-0716	LIQUID	2 mg	TOPICAL	OTC monograph final	8 sections
Almay Clear Complexion Blemish Healing Spot Concealer	HUMAN OTC DRUG LABEL	1	0311-0718	LIQUID	0.01 g	TOPICAL	OTC monograph final	8 sections
Almay Clear Complexion Liquid Makeup	HUMAN OTC DRUG LABEL	1	0311-0720	LIQUID	2 mg	TOPICAL	OTC monograph final	8 sections
Almay Clear Complexion Pressed Powder	HUMAN OTC DRUG LABEL	1	0311-0721	POWDER	0.00 g	TOPICAL	OTC monograph final	8 sections
Almay Clear Complexion Blemish Armor	HUMAN OTC DRUG LABEL	1	0311-0722	LIQUID	2 mg	TOPICAL	OTC monograph final	10 sections
Salicylic acid	HUMAN OTC DRUG LABEL	1	0363-0017	CREAM	5.05 mg	TOPICAL	OTC monograph final	10 sections
Charcoal Blackhead Clearing Scrub	HUMAN OTC DRUG LABEL	1	0363-0027	CREAM	20.60 mg	TOPICAL	OTC monograph final	12 sections
Salicylic Acid	HUMAN OTC DRUG LABEL	1	0363-0203	PATCH	40 mg	TOPICAL	OTC monograph final	9 sections
Salicylic Acid	HUMAN OTC DRUG LABEL	1	0363-0219	GEL	0.17 g	TOPICAL	OTC monograph final	9 sections
Oil-Free Daily Face	HUMAN OTC DRUG LABEL	1	0363-0480	CREAM	2 g	TOPICAL	OTC monograph final	8 sections
Walgreens Oil-Free Acne Wash	HUMAN OTC DRUG LABEL	1	0363-0536	SOLUTION	2 g	TOPICAL	OTC monograph final	9 sections
Walgreens Medicated Callus Removers	HUMAN OTC DRUG LABEL	1	0363-0819	DISC	17.67 mg	TOPICAL	OTC monograph final	10 sections
WALGREENS	HUMAN OTC DRUG LABEL	1	0363-0828	LIQUID	20 mg	TOPICAL	OTC monograph final	8 sections
WELL AT WALGREENS	HUMAN OTC DRUG LABEL	1	0363-0829	LIQUID	20 mg	TOPICAL	OTC monograph final	8 sections
Well at Walgreens Blemish and Blackhead Control Apricot	HUMAN OTC DRUG LABEL	1	0363-0830	LIQUID	0.02 g	TOPICAL	OTC monograph final	8 sections
Charcoal Blackhead Clearing Scrub	HUMAN OTC DRUG LABEL	1	0363-0910	CREAM	20.60 mg	TOPICAL	OTC monograph final	12 sections