Details of the Drug

General Information of Drug (ID: DMLS39E)

Drug Name
Proparacaine
Synonyms
Alcaine; Diocaine; Kainair; Ophthaine; Ophthetic; Paracaine; Prossimetacaina; Proximetacaina; Proximetacainum; Proxymetacaine; Proxymetacainum; Prossimetacaina [DCIT]; Proxymetacaine Hcl; Ak-taine; Alcaine (TN); Ocu-Caine; Proximetacaina [INN-Spanish]; Proxymetacaine (INN); Proxymetacaine [INN:BAN]; Proxymetacainum [INN-Latin]; Spectro-Caine; Ak-Taine (TN); Beta-(Diethylamino)ethyl 4-n-propoxybenzoate; BENZOIC ACID, 3-AMINO-4-PROPOXY-, 2-(DIETHYLAMINO)ETHYL ESTER; 2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate; 2-diethylaminoethyl 3-amino-4-propoxybenzoate; 3-Amino-4-propoxybenzoic acid 2-(diethylamino)ethyl ester
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1]
Therapeutic Class
Anesthetics
Affected Organisms
Humans and other mammals
ATC Code
S01HA04: Proparacaine
S01HA: Local anesthetics
S01H: LOCAL ANESTHETICS
S01: OPHTHALMOLOGICALS
S: SENSORY ORGANS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 294.39
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Metabolism
The drug is metabolized via plasma []
Chemical Identifiers
Formula
C16H26N2O3
IUPAC Name
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
Canonical SMILES
CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N
InChI
InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3
InChIKey
KCLANYCVBBTKTO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
4935
ChEBI ID
CHEMBL1196
CAS Number
499-67-2
UNII
B4OB0JHI1X
DrugBank ID
DB00807
TTD ID
D0Q7ZG
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Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) TT90XZ8 SCNAA_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anaesthesia
ICD Disease Classification 9A78.6
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Voltage-gated sodium channel alpha Nav1.8 (SCN10A) DTT SCN10A 9.89E-01 -0.16 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7283).
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.