Compound Detail
CHEMBL104
CLOTRIMAZOLE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL104 |
| Name | CLOTRIMAZOLE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VNFPBHJOKIVQEB-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
106
Targets
244
Activities
4
Assay Types
2
PK Parameters
20
Publications
30
Known Names
18
Indications
1
Mechanisms
Molecular Properties
344.9
MW (Da)
5.38
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1975 |
| Availability | OTC |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cytochrome P450 51 inhibitor | INHIBITOR | Lanosterol 14-alpha demethylase | ✓ | ✓ |
Indications
Candidiasis Infections Mycoses Pruritus Skin Diseases, Infectious Tinea Tinea Cruris Tinea Pedis Candidiasis, Oral Candidiasis, Vulvovaginal HIV Infections Otomycosis Vaginal Discharge Vaginitis Vaginosis, Bacterial Folliculitis Anemia, Sickle Cell Kidney Diseases
ATC Classification
A01AB18
clotrimazole
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: STOMATOLOGICAL PREPARATIONS
D01AC01
clotrimazole
Level 1: DERMATOLOGICALS
Level 2: ANTIFUNGALS FOR DERMATOLOGICAL USE
G01AF02
clotrimazole
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
Activity Summary
IC50 164 meas. best 8.74
Ki 51 meas. best 7.09
EC50 16 meas. best 6.88
Kd 13 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatase CHEMBL1978 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 8.22 | 7.475 | 6.0 | 2 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | IC50 | 7.8 | 7.335 | 16.0 | 2 |
| Cytochrome P450 3A4 CHEMBL340 | IC50 | 7.8 | 7.2983 | 16.0 | 6 |
| Cytochrome P450 2C19 CHEMBL3622 | IC50 | 7.8 | 6.465 | 16.0 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.22 | 6.3642 | 60.0 | 24 |
| Intermediate conductance calcium-activated potassium channel protein 4 CHEMBL4305 | IC50 | 7.16 | 6.92 | 70.0 | 3 |
| Unchecked CHEMBL612545 | Kd | 7.16 | 6.0888 | 70.0 | 8 |
| Mycocyclosin synthase CHEMBL1681615 | Kd | 7.14 | 7.14 | 73.0 | 1 |
| Nuclear receptor subfamily 1 group I member 3 CHEMBL5503 | IC50 | 7.1 | 6.7533 | 80.0 | 3 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | Ki | 7.09 | 7.09 | 81.5 | 1 |
| Nuclear receptor subfamily 1 group I member 3 CHEMBL5503 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| 14-alpha sterol demethylase CHEMBL1681624 | Kd | 6.99 | 6.99 | 103.0 | 1 |
| Lanosterol 14-alpha demethylase CHEMBL3849 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.88 | 6.34 | 133.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.78 | 5.97 | 168.0 | 3 |
| Sterol 14alpha-demethylase CHEMBL5090 | Kd | 6.7 | 6.7 | 200.0 | 1 |
| Plasmodium falciparum CHEMBL364 | EC50 | 6.55 | 6.51 | 280.2 | 2 |
| Trichophyton rubrum CHEMBL612649 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Saccharomyces cerevisiae CHEMBL361 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 6.2 | 6.2 | 630.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.14 | 6.14 | 731.0 | 1 |
| 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase CHEMBL4523494 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Cytochrome P450 2C8 CHEMBL3721 | IC50 | 6.09 | 6.09 | 803.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.05 | 6.05 | 899.0 | 1 |
| Cytochrome P450 2D6 CHEMBL289 | IC50 | 6.05 | 6.05 | 883.0 | 1 |
| Progesterone receptor CHEMBL1909044 | Ki | 5.94 | 5.94 | 1144.0 | 1 |
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL4302 | IC50 | 5.89 | 5.41 | 1300.0 | 3 |
| Transitional endoplasmic reticulum ATPase CHEMBL1075145 | IC50 | 5.85 | 5.385 | 1400.0 | 2 |
| Glucocorticoid receptor CHEMBL2034 | Ki | 5.83 | 5.83 | 1481.0 | 1 |
| C-C chemokine receptor type 4 CHEMBL2414 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.78 | 5.78 | 1654.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.76 | 5.76 | 1755.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 5.74 | 5.74 | 1802.0 | 1 |
| C-X-C chemokine receptor type 1 CHEMBL4029 | IC50 | 5.7 | 5.2617 | 1995.3 | 6 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 5.68 | 5.68 | 2104.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.65 | 5.24 | 2230.0 | 2 |
| Unchecked CHEMBL612545 | Ki | 5.62 | 5.08 | 2410.0 | 6 |
| Unchecked CHEMBL612545 | IC50 | 5.61 | 4.8142 | 2478.0 | 12 |
| Vasopressin V2 receptor CHEMBL1790 | IC50 | 5.6 | 5.1975 | 2511.9 | 4 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.6 | 5.6 | 2521.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 5.58 | 5.58 | 2647.0 | 1 |
| Adenosine receptor A3 CHEMBL256 | Ki | 5.57 | 5.57 | 2686.0 | 1 |
| Nuclear receptor subfamily 1 group I member 2 CHEMBL3401 | EC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Leishmania chagasi CHEMBL612790 | IC50 | 5.55 | 5.55 | 2810.0 | 1 |
| Transient receptor potential cation channel subfamily M member 2 CHEMBL1250402 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| Cmax | 87.0 | nM | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine