Molecule Details
| InChIKey | VNFPBHJOKIVQEB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Clotrimazole |
| Canonical SMILES | Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00257 |
|---|---|
| Drug Name | Clotrimazole |
| CAS Number | 23593-75-1 |
| Groups | approved investigational vet_approved |
| ATC Codes | D01AC01 A01AB18 G01AF02 G01AF20 |
| Description | This drug is a broad spectrum antimycotic or antifungal agent. Clotrimazole's antimycotic properties were discovered in the late 1960s [A174094]. Clotrimazole falls under the _imidazole_ category of _azole_ antifungals, possessing broad-spectrum antimycotic activity [A174094]. It is available in var... |
Categories: Anti-Infective Agents Anti-Infective Agents, Local Antifungal Agents Antifungal Agents (Vaginal) Antifungals for Dermatological Use Antifungals for Topical Use Antiinfectives and Antiseptics for Local Oral Treatment Azole Antifungals BSEP/ABCB11 Inhibitors BSEP/ABCB11 Substrates Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strong) Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strength unknown) Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strong) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors (strong) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (moderate) Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (moderate) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inducers (strong) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A7 Inducers Cytochrome P-450 CYP3A7 Inducers (strong) Cytochrome P-450 CYP3A7 Inducers (weak) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dermatologicals Enzyme Inhibitors Gynecological Antiinfectives and Antiseptics Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Imidazole Derivatives Imidazole and Triazole Derivatives Imidazoles OATP1B1/SLCO1B1 Inhibitors OATP1B1/SLCO1B1 Substrates OATP1B3 inducers P-glycoprotein inducers P-glycoprotein inhibitors P-glycoprotein substrates Steroid Synthesis Inhibitors Stomatological Preparations
Cross-references: BindingDB: 31774 ChEBI: 3764 CHEMBL104 ChemSpider: 2710 Drugs Product Database (DPD): 2375 Guide to Pharmacology: 2330 IUPHAR: 2330 C06922 D00282 PDB: CL6 PharmGKB: PA449057 PubChem:2812 PubChem:46507927 RxCUI: 2623 Therapeutic Targets Database: DAP000138 Wikipedia: Clotrimazole ZINC: ZINC000003807804
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11511 | CYP19A1 | Homo sapiens | Human | PF00067 | 8.7 | IC50 | ChEMBL;BindingDB |
| P24557 | TBXAS1 | Homo sapiens | Human | PF00067 | 7.8 | IC50 | ChEMBL |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 7.8 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 7.3 | IC50 | ChEMBL;BindingDB |
| O15554 | KCNN4 | Homo sapiens | Human | PF02888 PF07885 PF03530 | 7.2 | IC50 | ChEMBL;BindingDB |
| P05093 | CYP17A1 | Homo sapiens | Human | PF00067 | 7.1 | Ki | ChEMBL;BindingDB |
| Q14994 | NR1I3 | Homo sapiens | Human | PF00104 PF00105 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q16850 | CYP51A1 | Homo sapiens | Human | PF00067 | 6.9 | IC50 | ChEMBL;BindingDB |
| P11712 | CYP2C9 | Homo sapiens | Human | PF00067 | 6.9 | IC50 | ChEMBL;BindingDB |
| Q13936 | CACNA1C | Homo sapiens | Human | PF08763 PF16885 PF16905 PF00520 | 6.2 | IC50 | ChEMBL;BindingDB |
| P35372 | OPRM1 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P10632 | CYP2C8 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q9UNU6 | CYP8B1 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P9WPP7 | cyp121 | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | Pathogen | PF00067 | 7.1 | Kd | ChEMBL;BindingDB |
| Q96W81 | cyp51B | Aspergillus fumigatus | Pathogen | PF00067 | 7.0 | Kd | ChEMBL;BindingDB |
| P9WPP8 | cyp51 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.7 | Kd | BindingDB |
| P9WPL0 | cyp144 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 6.4 | Kd | BindingDB |
DrugBank Target Actions (24)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inducer | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | inducer | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P11509 | CYP2A6 | Cytochrome P450 2A6 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| O75469 | NR1I2 | Nuclear receptor subfamily 1 group I member 2 | activator | targets |
| P10613 | ERG11 | Lanosterol 14-alpha demethylase | antagonist | targets |
| O15554 | KCNN4 | Intermediate conductance calcium-activated potassium channel protein 4 | inhibitor | targets |
| P10613 | ERG11 | Lanosterol 14-alpha demethylase | inhibitor | targets |
| P25025 | CXCR2 | C-X-C chemokine receptor type 2 | modulator | targets |
| Q8TDS4 | HCAR2 | Hydroxycarboxylic acid receptor 2 | partial agonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inducer | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inducer | transporters |
| O95342 | ABCB11 | Bile salt export pump | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | substrate | transporters |