Molecule Details
| InChIKey | GHXZTYHSJHQHIJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Chlorohexidine |
| Canonical SMILES | N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00878 |
|---|---|
| Drug Name | Chlorhexidine |
| CAS Number | 55-56-1 |
| Groups | approved investigational vet_approved withdrawn |
| ATC Codes | R02AA05 S03AA04 D08AC52 A01AB53 S01AX09 D08AC02 D09AA12 B05CA02 A01AB03 S02AA09 |
| Description | Chlorhexidine is a broad-spectrum antimicrobial biguanide used as a topical antiseptic and in dental practice for the treatment of inflammatory dental conditions caused by microorganisms.[L11512] It is one of the most common skin and mucous membrane antiseptic agents in use today.[A190417] The molec... |
Categories: Alimentary Tract and Metabolism Amidines Anti-Infective Agents Anti-Infective Agents, Local Antiinfectives and Antiseptics for Local Oral Treatment Antiseptics and Disinfectants Biguanides Biguanides and Amidines Compounds used in a research, industrial, or household setting Decreased Cell Wall Integrity Dental Agents Dermatologicals Disinfectants Guanidines Household Products Irrigating Solutions Medicated Dressings Medicated Dressings With Antiinfectives Miscellaneous Anti-infectives Miscellaneous Local Anti-infectives Mouthwashes Mouthwashes and Gargles Ophthalmological and Otological Preparations Ophthalmologicals Otologicals Sensory Organs Stomatological Preparations Throat Preparations
Cross-references: BindingDB: 64773 ChEBI: 3614 CHEMBL790 ChemSpider: 2612 Drugs Product Database (DPD): 626 C06902 D07668 PDB: XC9 PharmGKB: PA164776863 PubChem:9552079 PubChem:46506388 RxCUI: 2358 Therapeutic Targets Database: DAP001326 Wikipedia: Chlorhexidine ZINC: ZINC000014768621
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q6QHF9 | PAOX | Homo sapiens | Human | PF01593 | 7.0 | Ki | BindingDB |
| O15245 | SLC22A1 | Homo sapiens | Human | PF00083 | 6.7 | IC50 | ChEMBL;BindingDB |
| O15244 | SLC22A2 | Homo sapiens | Human | PF00083 | 6.4 | IC50 | ChEMBL;BindingDB |
| O75751 | SLC22A3 | Homo sapiens | Human | PF07690 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q86VL8 | SLC47A2 | Homo sapiens | Human | PF01554 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9NWM0 | SMOX | Homo sapiens | Human | PF01593 | 6.3 | Ki | BindingDB |
| Q96FL8 | SLC47A1 | Homo sapiens | Human | PF01554 | 6.2 | IC50 | ChEMBL;BindingDB |
| P08253 | MMP2 | Homo sapiens | Human | PF00040 PF00045 PF00413 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P67578 | metG | Staphylococcus aureus (strain Mu50 / ATCC 700699) | Pathogen | PF08264 PF09334 PF01588 | 8.4 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | substrate | carriers |