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Compound Detail

CHEMBL1200

BENOXINATE
💊 Approved Drug
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💊 Approved Drug
CCCCOc1cc(C(=O)OCCN(CC)CC)ccc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200
Name BENOXINATE
Phase Approved
Structure Type MOL
InChI Key CMHHMUWAYWTMGS-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Conjucain Dorsacain Monofree oxybuprocaine Oxibuprocaina Oxybucaine Oxybuprocaine
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

308.4
MW (Da)
2.95
ALogP
5
HBA
1
HBD
64.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Prescription
Chirality Achiral

Routes of Administration

Topical

Flags

Natural Product

Extended Properties

Molecular Formula C17H28N2O3
MW 308.42
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.84

Indications

Pruritus

ATC Classification

D04AB03
oxybuprocaine
Level 1: DERMATOLOGICALS
Level 2: ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
S01HA02
oxybuprocaine
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

IC50 2 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium channel alpha subunits; brain (Types I, II, III)
CHEMBL2096682
 IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sodium channel alpha subunits; brain (Types I, II, III) IC50 = 2900.0 nM 5.54 Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... 2579237

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
2579237 10.1021/jm00381a019 Sodium channel alpha subunits; brain (Types I, II, III) 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Kappa-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine