Compound Detail
CHEMBL1200836
OXICONAZOLE NITRATE 💊 Approved Drug
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💊 Approved Drug
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
Basic Information
| ChEMBL ID | CHEMBL1200836 |
| Name | OXICONAZOLE NITRATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | WVNOAGNOIPTWPT-NDUABGMUSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1262 |
| Active Moiety | CHEMBL1262 |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
2
Indications
1
Mechanisms
Molecular Properties
429.1
MW (Da)
6.12
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1988 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 51 inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Tinea Tinea Pedis
Activity Summary
IC50 4 meas. best 6.41
EC50 3 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.41 | 6.41 | 388.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.72 | 5.72 | 1924.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.71 | 5.71 | 1953.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.42 | 5.42 | 3819.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 8846.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 4.68 | 4.68 | 20820.0 | 1 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.31 | 4.31 | 49300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 388.0 | nM | 6.41 | Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi infected... | 23927763 |
| Streptococcus sp. 'group A' | EC50 | = | 1924.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 1953.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 3819.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 8845.95 | nM | 5.05 | PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... | - |
| SARS-CoV-2 | IC50 | = | 20820.0 | nM | 4.68 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Bile salt export pump | IC50 | = | 49300.0 | nM | 4.31 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4513141 | HEK293 | 1 |
| 23927763 | 10.1021/jm4004279 | ADMET | 1 |
| - | 10.6019/CHEMBL4513141 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513141 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513141 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513141 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513141 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | ADMET | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | Caco-2 | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 3 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | Bile salt export pump | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23927763 | 10.1021/jm4004279 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine