Molecule Details
InChIKeyGHXZTYHSJHQHIJ-UHFFFAOYSA-N
Compound NameChlorohexidine
Canonical SMILESN=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 pChEMBL6.69
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00878
Drug NameChlorhexidine
CAS Number55-56-1
Groups approved investigational vet_approved withdrawn
ATC Codes R02AA05 S03AA04 D08AC52 A01AB53 S01AX09 D08AC02 D09AA12 B05CA02 A01AB03 S02AA09
DescriptionChlorhexidine 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