| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 21 | Yes |
Popular Name: PROPARACAINE PROPARACAINE
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate
2-(diethylamino)ethyl 3-amino-4-propoxybenzoate hydrochloride
2-(diethylamino)ethyl3-amino-4-propoxybenzoatehydrochloride
2-diethylaminoethyl 3-amino-4-propoxybenzoate
3-Amino-4-propoxy-benzoic acid 2-diethylamino-ethyl ester
3-Amino-4-propoxybenzoic acid 2-(diethylamino)ethyl ester
499-67-2; C07383; Proparacaine; Proxymetacaine
499-67-2; CPD000875264; Proxymetacaine; SAM002564232
499-67-2; D08448; Proparacaine; Proxymetacaine (INN)
5875-06-9 (mono-hydrochloride)
5875-06-9; Alcaine (TN); D02098; Ophthetic (TN); Proparacaine hydrochloride (USP)
BENZOIC ACID, 3-AMINO-4-PROPOXY-, 2-(DIETHYLAMINO)ETHYL ESTER
benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, hydrochloride
benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester, monohydrochloride
beta-(Diethylamino)ethyl 4-n-propoxybenzoate
CPD000875264; Proxymetacaine; SAM002564232
Proparacaine Hydrochloride (FDA
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.24 | 7.86 | -36.89 | 3 | 5 | 1 | 66 | 295.403 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.39e+00 g/l | DrugBank-approved |
| Indications | anesthetic | KeyOrganics Bioactives |
| mechanism | However, several studies indicate that local anesthetics may limit sodium ion permeability through the lipid layer of the nerve cell membrane. | IBScreen Bioactives |
| biological_use | Local anaesthetic (esp. ophthalmic) | IBScreen Bioactives |
| Therapy | local anesthetic | SMDC Pharmakon |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-7887; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER, FAINT YELLOW CAST; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| mechanism | Proparacaine may alter epithelial sodium channels through interaction with channel protein residues. | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-7887; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER, FAINT YELLOW CAST | NIH Clinical Collection via PubChem |
| Target | Sodium Channel | Selleck Chemicals |
| mechanism | The exact mechanism whereby proparacaine and other local anesthetics influence the permeability of the cell membrane is unknown | IBScreen Bioactives IBScreen Bioactives |
| mechanism | This limitation prevents the fundamental change necessary for the generation of the action potential. | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A-2-E | Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.38 | Binding ≤ 10μM |
| SCN2A-2-E | Sodium Channel Protein Type II Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.38 | Binding ≤ 10μM |
| SCN3A-2-E | Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.38 | Binding ≤ 10μM |
| SCN8A-2-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1900 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 1900 | 0.38 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 1900 | 0.38 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 1900 | 0.38 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 1900 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Interaction between L1 and Ankyrins |
