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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL79
CHEMBL79
Compound Name LIDOCAINE
ChEMBL Synonyms ORAQIX | LMX 4 | ORAGARD | LIGNOSPAN SPECIAL | LIDOCAINE VISCOUS | LARYNGOTRACHEAL ANESTHESIA KIT | INSTILLAGEL | CO-PHENYLCAINE FTE | Lignostab | Lidopen | LIDODERM | Lidocaine Hydrochloride | ZINGO | XYLOCAINE PRESERVATIVE FREE | XYLOCAINE DENTAL | LIGNOSTAB A 100 | HEMOCANE | EMLA | ANODESYN | VAGISIL | LIGNOCAINE | VERSATIS | PEDIATRIC LTA KIT | LIGNOSTAB-A | LIDOCAINE HYDROCHLORIDE | LARYNG-O-JET KIT | GERMOLOIDS | ALPHACAINE HYDROCHLORIDE | Iontocaine | DENTIPATCH | XYLODASE | Lignocaine HCl | PREPARATION H | MEDIJEL | LTA II KIT | DEQUASPRAY | BISMODYNE | ANESTACON | AKTEN | XYLOCAINE VISCOUS | LIGNOSTAB | IGLU | Lidocaton | Embolex | ALPHACAINE | XYLOTOX E80 | REXOCAINE | LIGNOCAINE HYDROCHLORIDE | LIDOPEN | LIDOCATON | LARYNGOJET | DENELA | CALGEL | BRADOSOL PLUS | Anestacon | LIGNOKENT | GLYDO | GERMOLOIDS COMPLETE | LIDOCAINE | LIGNOSTAB N | LIDOCAINE HYDROCHLORIDE VISCOUS | LIDO HCL | XYLOTOX | XYLOCAINE | Octocaine
Max Phase 4 (Approved)
Trade Names ANODESYN | EMLA | HEMOCANE | LIGNOSTAB A 100 | XYLOCAINE DENTAL | XYLOCAINE PRESERVATIVE FREE | ZINGO | VAGISIL | CO-PHENYLCAINE FTE | INSTILLAGEL | LARYNGOTRACHEAL ANESTHESIA KIT | LIDOCAINE VISCOUS | LIGNOSPAN SPECIAL | ORAGARD | LIDODERM | Lignostab | LIDO HCL | LIDOCAINE HYDROCHLORIDE VISCOUS | LIGNOSTAB N | XYLOCAINE | LIDOCAINE | LMX 4 | ORAQIX | XYLOTOX | GERMOLOIDS COMPLETE | GLYDO | LIGNOKENT | BRADOSOL PLUS | CALGEL | DENELA | LARYNGOJET | LIDOCATON | LIDOPEN | REXOCAINE | XYLOTOX E80 | Anestacon | IGLU | LIGNOSTAB | XYLOCAINE VISCOUS | ALPHACAINE | AKTEN | ANESTACON | BISMODYNE | DEQUASPRAY | LTA II KIT | MEDIJEL | PREPARATION H | Lignocaine HCl | XYLODASE | ALPHACAINE HYDROCHLORIDE | GERMOLOIDS | LARYNG-O-JET KIT | LIDOCAINE HYDROCHLORIDE | LIGNOSTAB-A | PEDIATRIC LTA KIT | VERSATIS | DENTIPATCH
Molecular Formula C14H22N2O

Additional synonyms for CHEMBL79 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CC(=O)Nc1c(C)cccc1C
Standard InChI InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12( ...
Download InChI
Standard InChI Key NNJVILVZKWQKPM-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL79

Molecule Features

CHEMBL79 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:Y Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Sodium channel alpha subunit blocker Sodium channel alpha subunit PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ArthritisD001168EFO:0005856arthritis4DailyMed
DailyMed
DailyMed
DailyMed
Back PainD001416EFO:0003843pain4DailyMed
DailyMed
DailyMed
DailyMed
Cystitis, InterstitialD018856EFO:1000869chronic interstitial cystitis2ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage3ClinicalTrials
Macular DegenerationD008268EFO:0001365age-related macular degeneration2ClinicalTrials
TendinopathyD052256EFO:1001434Tendinopathy4ClinicalTrials
DailyMed
Urinary Tract InfectionsD014552EFO:0003103urinary tract infection2ClinicalTrials
Rotator Cuff InjuriesD000070636EFO:1001250rotator cuff tear2ClinicalTrials
Hypertension, PulmonaryD006976EFO:0001361pulmonary hypertension1ClinicalTrials
Irritable Bowel SyndromeD043183EFO:0000555irritable bowel syndrome2ClinicalTrials
Keratosis, ActinicD055623EFO:0002496actinic keratosis1ClinicalTrials
Migraine without AuraD020326EFO:0005296migraine without aura1ClinicalTrials
Muscular DiseasesD009135EFO:0002970muscular disease3ClinicalTrials
Premature BirthD047928EFO:0003917premature birth1ClinicalTrials
Premature EjaculationD0616863ClinicalTrials
Scleroderma, LocalizedD012594EFO:1001993scleroderma2ClinicalTrials
AnesthesiaD0007584DailyMed
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Colorectal NeoplasmsD015179EFO:0000365colorectal adenocarcinoma3ClinicalTrials
Colorectal NeoplasmsD015179EFO:0004142colorectal neoplasm3ClinicalTrials
NeuralgiaD009437EFO:0005762neuropathic pain3ClinicalTrials
Obesity, MorbidD009767EFO:0001074morbid obesity3ClinicalTrials
OsteoarthritisD010003EFO:0002506osteoarthritis2ClinicalTrials
Osteoarthritis, KneeD020370EFO:0004616osteoarthritis, knee2ClinicalTrials
PainD010146EFO:0003843pain3ClinicalTrials
ClinicalTrials
Pre-EclampsiaD011225EFO:0000668preeclampsia3ClinicalTrials
PruritusD011537HP:0000989Pruritus4ClinicalTrials
ATC
PulpitisD011671EFO:1001139pulpitis3ClinicalTrials
Temporomandibular Joint DisordersD013705EFO:0005279temporomandibular joint disorder2ClinicalTrials
Arrhythmias, CardiacD001145EFO:0004269cardiac arrhythmia4ATC
Brain NeoplasmsD001932EFO:0003833brain neoplasm1ClinicalTrials
Heart DiseasesD006331EFO:0003777heart disease2ClinicalTrials
Lung NeoplasmsD008175EFO:0001071lung carcinoma1ClinicalTrials
MyalgiaD063806HP:0003326Myalgia4DailyMed
DailyMed
DailyMed
DailyMed
Paget Disease, ExtramammaryD010145EFO:1000249Extramammary Paget Disease3ClinicalTrials
Postoperative ComplicationsD011183EFO:0005323post-operative sign or symptom1ClinicalTrials
AnalgesiaD000698EFO:0003843pain4DailyMed
DailyMed
DailyMed
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
Carcinoma, Squamous CellD002294EFO:0000707squamous cell carcinoma1ClinicalTrials
Carpal Tunnel SyndromeD002349EFO:0004143carpal tunnel syndrome3ClinicalTrials
Common ColdD003139EFO:0007214common cold3ClinicalTrials
HeadacheD006261HP:0002315Headache3ClinicalTrials
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
ClinicalTrials
StomatitisD0132803ClinicalTrials
StrokeD020521EFO:0000712stroke3ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma2ClinicalTrials
Myofascial Pain SyndromesD009209EFO:1001054myofascial pain syndrome2ClinicalTrials
Osteoporosis, PostmenopausalD015663EFO:0003854postmenopausal osteoporosis3ClinicalTrials
Parathyroid DiseasesD010279EFO:0005754parathyroid disease3ClinicalTrials
Peripheral Nervous System DiseasesD010523EFO:0003100peripheral neuropathy3ClinicalTrials
PregnancyD011247EFO:0002950pregnancy3ClinicalTrials
ClinicalTrials
Shoulder Impingement SyndromeD019534EFO:1001178shoulder impingement syndrome2ClinicalTrials
SinusitisD012852EFO:0007486sinusitis3ClinicalTrials
Urinary Bladder, OveractiveD053201EFO:1000781overactive bladder3ClinicalTrials
Uterine Cervical DysplasiaD002578EFO:1000910dysplasia of cervix2ClinicalTrials
Wounds and InjuriesD014947EFO:0000546injury2ClinicalTrials
BursitisD002062EFO:1000941frozen shoulder4DailyMed
DysmenorrheaD0044122ClinicalTrials
LeiomyomaD007889EFO:0000731uterine fibroid2ClinicalTrials
ObesityD009765EFO:0001073obesity3ClinicalTrials
Diabetes MellitusD003920EFO:0000400diabetes mellitus3ClinicalTrials
AnxietyD001007EFO:0005230anxiety2ClinicalTrials
CoughD003371HP:0012735Cough3ClinicalTrials
Death, Sudden, CardiacD016757EFO:0004278sudden cardiac arrest3ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia3ClinicalTrials
Glycogen Storage Disease Type IID006009Orphanet:365Glycogen storage disease due to acid maltase deficiency1ClinicalTrials
InfertilityD007246EFO:0000545infertility2ClinicalTrials
Muscle CrampD0091204DailyMed
Nutrition DisordersD009748EFO:0001069nutritional disorder3ClinicalTrials
Renal ColicD056844EFO:1001412Renal Colic2ClinicalTrials
StomatitisD013280EFO:1001904oral mucositis3ClinicalTrials
TinnitusD0140120ClinicalTrials
MucositisD052016EFO:1001898mucositis2ClinicalTrials

Clinical Data

ClinicalTrials.gov LIDOCAINE
The Cochrane Collaboration LIDOCAINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL79. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 1.000
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.994
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.986
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.927
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.725
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.698
CHEMBL5514 Huntingtin Homo sapiens 0.683
CHEMBL2392 DNA polymerase beta Homo sapiens 0.566
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.442
CHEMBL281 Carbonic anhydrase IV Bos taurus 0.375
CHEMBL1936 Stem cell growth factor receptor Homo sapiens 0.219
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.202



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL6141 Acyl-CoA:cholesterol acyltransferase Oryctolagus cuniculus 0.999
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.977
CHEMBL258 Tyrosine-protein kinase LCK Homo sapiens 0.948
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.771
CHEMBL1293231 Nuclear receptor ROR-gamma Mus musculus 0.731
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.442
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.303
CHEMBL5514 Huntingtin Homo sapiens 0.272
CHEMBL1293299 Histone-lysine N-methyltransferase MLL Homo sapiens 0.258
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.244
CHEMBL2392 DNA polymerase beta Homo sapiens 0.222
CHEMBL1075189 Pyruvate kinase isozymes M1/M2 Homo sapiens 0.214

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
234.3 234.1732 2.58 5 32.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.96 2.2 1.67 1 17 0.85

Structural Alerts

There are no structural alerts for CHEMBL79

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C01 - CARDIAC THERAPY
C01B - ANTIARRHYTHMICS, CLASS I AND III
C01BB - Antiarrhythmics, class Ib
C01BB01 - lidocaine

R - RESPIRATORY SYSTEM
R02 - THROAT PREPARATIONS
R02A - THROAT PREPARATIONS
R02AD - Anesthetics, local
R02AD02 - lidocaine

S - SENSORY ORGANS
S02 - OTOLOGICALS
S02D - OTHER OTOLOGICALS
S02DA - Analgesics and anesthetics
S02DA01 - lidocaine

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB02 - lidocaine

C - CARDIOVASCULAR SYSTEM
C05 - VASOPROTECTIVES
C05A - AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
C05AD - Local anesthetics
C05AD01 - lidocaine

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01H - LOCAL ANESTHETICS
S01HA - Local anesthetics
S01HA07 - lidocaine

N - NERVOUS SYSTEM
N01 - ANESTHETICS
N01B - ANESTHETICS, LOCAL
N01BB - Amides
N01BB52 - lidocaine, combinations

D - DERMATOLOGICALS
D04 - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A - ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AB - Anesthetics for topical use
D04AB01 - lidocaine

ChemSpider ChemSpider:NNJVILVZKWQKPM-UHFFFAOYSA-N
DailyMed lidocaine lidocaine hydrochloride
PubChem SID: 104171182 SID: 11111384 SID: 11111385 SID: 144203734 SID: 170464729 SID: 26751483 SID: 26751484 SID: 56422194 SID: 855682 SID: 90340642
Wikipedia Lidocaine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL79



ACToR 137-58-6
BindingDB 50017662
Brenda 146897 9617 100862
ChEBI 6456
ChemicalBook CB9128024
DrugBank DB00281
DrugCentral 1579
eMolecules 540368
EPA CompTox Dashboard DTXSID1045166
FDA SRS 98PI200987
Guide to Pharmacology 2623
Human Metabolome Database HMDB0014426
IBM Patent System 3A8C6640265E6B12B86D48EDB18E4651
KEGG Ligand C07073
LINCS LSM-3165
Mcule MCULE-9294700940
MolPort MolPort-001-783-478
NIH Clinical Collection SAM001247018
Nikkaji J5.631F
PDBe LQZ
PharmGKB PA450226
PubChem 3676
PubChem: Thomson Pharma 15196283
Selleck Lidocaine
SureChEMBL SCHEMBL17967359 SCHEMBL15689
ZINC ZINC000000020237

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/NNJVILVZKWQKPM-UHFFFAOYSA-N spacer
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