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

Stem definitionDrug idCAS RN
4258 89-83-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • thymol
  • thyme camphor
  • thymol chrystals
A phenol obtained from thyme oil or other volatile oils used as a stabilizer in pharmaceutical preparations, and as an antiseptic (antibacterial or antifungal) agent.
  • Molecular weight: 150.22
  • Formula: C10H14O
  • CLOGP: 3.20
  • LIPINSKI: 0
  • HAC: 1
  • HDO: 1
  • TPSA: 20.23
  • ALOGS: -2.37
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K1,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 64
kinase-selectivity-class AXL,BRAF,DDR1,GRK2 4
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Joint dislocation 243.87 45.83 126 14322 44456 90569543
Seronegative arthritis 239.45 45.83 95 14353 18139 90595860
Prescribed underdose 195.02 45.83 131 14317 74888 90539111
Joint stiffness 187.97 45.83 130 14318 77912 90536087
Walking aid user 173.24 45.83 93 14355 35413 90578586
Wound infection 170.86 45.83 139 14309 106263 90507736
Retinitis 166.28 45.83 93 14355 38365 90575634
Lupus vulgaris 165.56 45.83 98 14350 44961 90569038
Lupus-like syndrome 153.20 45.83 96 14352 48750 90565249
Laryngitis 149.82 45.83 96 14352 50657 90563342
Visual impairment 138.97 45.83 136 14312 132229 90481770
Upper respiratory tract infection 138.76 45.83 134 14314 128184 90485815
Type 2 diabetes mellitus 138.23 45.83 166 14282 203078 90410921
Anti-cyclic citrullinated peptide antibody 131.93 45.83 71 14377 27150 90586849
Osteoporosis 128.01 45.83 113 14335 96418 90517581
Hypercholesterolaemia 127.64 45.83 115 14333 100777 90513222
Sciatica 127.16 45.83 115 14333 101267 90512732
Road traffic accident 119.37 45.83 114 14334 107512 90506487
Joint range of motion decreased 114.55 45.83 124 14324 135519 90478480
Spinal fusion surgery 110.81 45.83 49 14399 12234 90601765
Spondylitis 110.28 45.83 51 14397 14127 90599872
Hepatic cirrhosis 108.62 45.83 86 14362 63167 90550832
Adjustment disorder with depressed mood 107.98 45.83 82 14366 56671 90557328
Dislocation of vertebra 104.57 45.83 80 14368 55888 90558111
Foot deformity 104.35 45.83 82 14366 59569 90554430
Liver function test increased 103.93 45.83 95 14353 84760 90529239
Exostosis 103.81 45.83 78 14370 53056 90560943
Osteoarthritis 101.77 45.83 140 14308 195590 90418409
Bone erosion 101.73 45.83 77 14371 52944 90561055
Hip arthroplasty 100.59 45.83 89 14359 76119 90537880
Prescribed overdose 96.28 45.83 97 14351 97528 90516471
Red blood cell sedimentation rate increased 92.53 45.83 88 14360 82507 90531492
Drug ineffective 91.64 45.83 54 14394 1384244 89229755
Deep vein thrombosis postoperative 90.08 45.83 81 14367 70728 90543271
Disability 89.03 45.83 64 14384 40681 90573318
Lower limb fracture 88.50 45.83 87 14361 84926 90529073
Ear infection 83.25 45.83 77 14371 69698 90544301
Pulmonary fibrosis 81.63 45.83 93 14355 107410 90506589
Autoimmune disorder 80.74 45.83 79 14369 76665 90537334
Swollen joint count increased 80.73 45.83 94 14354 111112 90502887
Grip strength decreased 78.75 45.83 85 14363 92491 90521508
Irritable bowel syndrome 78.62 45.83 128 14320 207320 90406679
Wheezing 78.44 45.83 138 14310 237942 90376057
Urticaria 69.92 45.83 154 14294 312580 90301419
Fibromyalgia 69.80 45.83 121 14327 206148 90407851
Knee arthroplasty 66.61 45.83 74 14374 83108 90530891
Oedema 65.82 45.83 116 14332 200179 90413820
Delirium 65.58 45.83 82 14366 104277 90509722
Mobility decreased 64.76 45.83 131 14317 250603 90363396
Drug-induced liver injury 61.66 45.83 74 14374 90244 90523755
Fall 61.17 45.83 4 14444 481806 90132193
Injury 60.63 45.83 111 14337 197238 90416761
Amnesia 59.95 45.83 80 14368 108425 90505574
Psoriasis 58.44 45.83 93 14355 147661 90466338
Wound 56.51 45.83 139 14309 302841 90311158
Hypoaesthesia 56.35 45.83 142 14306 314068 90299931
Gait inability 56.30 45.83 91 14357 146365 90467634
C-reactive protein increased 55.68 45.83 102 14346 181287 90432712
Rheumatic fever 54.63 45.83 92 14356 153029 90460970
Helicobacter infection 54.42 45.83 115 14333 226735 90387264
Liver injury 53.73 45.83 97 14351 170470 90443529
Tachycardia 52.66 45.83 92 14356 157581 90456418
Blood cholesterol increased 51.70 45.83 107 14341 207905 90406094
Rheumatoid factor positive 50.76 45.83 95 14353 171555 90442444
Weight increased 50.68 45.83 164 14284 417763 90196236
Muscle injury 50.05 45.83 96 14352 176558 90437441
Breast cancer stage III 49.33 45.83 64 14384 84383 90529616
Cough 47 45.83 3 14445 368959 90245040
Impaired healing 46.38 45.83 110 14338 234089 90379910
Asthenia 46.00 45.83 14 14434 533737 90080262

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Sleep disorder due to general medical condition, insomnia type 54.73 24.83 39 4058 105604 110479598
Sciatica 52.26 24.83 36 4061 92363 110492839
Type 2 diabetes mellitus 48.36 24.83 45 4052 177187 110408015
Road traffic accident 45.20 24.83 35 4062 107363 110477839
Fibromyalgia 43.96 24.83 42 4055 170867 110414335
Seronegative arthritis 36.89 24.83 15 4082 13162 110572040
Helicobacter infection 34.59 24.83 38 4059 181839 110403363
Osteoarthritis 34.46 24.83 38 4059 182585 110402617
Mobility decreased 34.18 24.83 43 4054 237379 110347823
Adverse drug reaction 33.09 24.83 29 4068 105530 110479672
Spinal fusion surgery 31.15 24.83 12 4085 9144 110576058
Blood cholesterol increased 30.71 24.83 36 4061 184749 110400453
Adverse event 30.37 24.83 28 4069 108781 110476421
Stomatitis 29.82 24.83 43 4054 270199 110315003
Prescribed underdose 29.07 24.83 22 4075 65152 110520050

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000891 Anti-Infective Agents, Local
MeSH PA D000935 Antifungal Agents
CHEBI has role CHEBI:27311 volatile oil component

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

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 10.57 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Transient receptor potential cation channel subfamily A member 1 Ion channel EC50 5.22 CHEMBL
Transient receptor potential cation channel subfamily M member 8 Ion channel EC50 4.28 CHEMBL
Heat sensitive channel TRPV3 Ion channel EC50 4.54 CHEMBL

External reference:

IDSource
4019136 VUID
N0000147386 NUI
D01039 KEGG_DRUG
4019136 VANDF
C0040096 UMLSCUI
CHEBI:27607 CHEBI
CHEMBL29411 ChEMBL_ID
D013943 MESH_DESCRIPTOR_UI
DB02513 DRUGBANK_ID
2499 IUPHAR_LIGAND_ID
3J50XA376E UNII
6989 PUBCHEM_CID
10553 RXNORM
NOCODE MMSL
002914 NDDF
331322007 SNOMEDCT_US
54932001 SNOMEDCT_US
IPB PDB_CHEM_ID
3J50XA376E INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 0363-0072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 12 sections
Rinse HUMAN OTC DRUG LABEL 4 0363-0318 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antispetic HUMAN OTC DRUG LABEL 4 0363-0664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Tartar control plus HUMAN OTC DRUG LABEL 4 0363-0855 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antiseptic HUMAN OTC DRUG LABEL 4 0869-0072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antispetic HUMAN OTC DRUG LABEL 4 0869-0664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antispetic HUMAN OTC DRUG LABEL 4 10202-664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 12 sections
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 11344-072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 11344-318 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antispetic HUMAN OTC DRUG LABEL 4 11344-664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Tartar control plus Antiseptic HUMAN OTC DRUG LABEL 4 11344-855 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antispetic HUMAN OTC DRUG LABEL 4 11673-072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antiseptic HUMAN OTC DRUG LABEL 4 11673-318 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antispetic HUMAN OTC DRUG LABEL 4 11673-664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 15 sections
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 11822-0072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 12 sections
Antispetic HUMAN OTC DRUG LABEL 4 11822-0664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Oral Care Antiseptic HUMAN OTC DRUG LABEL 4 11822-3108 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Tartar control plus HUMAN OTC DRUG LABEL 4 11822-5829 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 12 sections
Mastic Dent HUMAN OTC DRUG LABEL 4 15304-4085 MOUTHWASH 0.64 mg ORAL OTC monograph not final 10 sections
Antispetic HUMAN OTC DRUG LABEL 4 21130-072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 21130-318 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Antispetic HUMAN OTC DRUG LABEL 4 21130-664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
CleanWell Natural Original Hand Sanitizer Wipes HUMAN OTC DRUG LABEL 1 28107-002 CLOTH 0.00 kg TOPICAL OTC monograph not final 7 sections
CleanWell Natural Orange Vanilla Hand Sanitizing Wipes HUMAN OTC DRUG LABEL 1 28107-007 CLOTH 0.00 kg TOPICAL OTC monograph not final 7 sections
CleanWell Natural Orange Vanilla Hand Sanitizer HUMAN OTC DRUG LABEL 1 28107-008 SPRAY 0.00 kg TOPICAL OTC monograph not final 7 sections
Mouth Rinse HUMAN OTC DRUG LABEL 4 30142-072 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antiseptic Mouth Rinse HUMAN OTC DRUG LABEL 4 30142-318 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 14 sections
Antispetic HUMAN OTC DRUG LABEL 4 30142-664 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 12 sections
Tartar control plus HUMAN OTC DRUG LABEL 4 30142-855 MOUTHWASH 0.64 mg ORAL OTC Monograph Drug 13 sections
Kroger Cool Mint Boost Mouth HUMAN OTC DRUG LABEL 4 30142-978 RINSE 0.64 mg ORAL OTC monograph not final 11 sections