TRICLOSAN


Synonyms	Aquasept CH 3565 CH-3565 Cloxifenol DNDI1246774 Gamophen Innoxa Manusept NSC-759151 Skinsan Stri-dex cleansing bar Stri-dex face wash Tegusept Triclosan
Status
Molecule Category	Free-form
ATC	D08AE04 D09AA06
UNII	4NM5039Y5X
EPA CompTox	DTXSID5032498

Structure


InChI Key	XEFQLINVKFYRCS-UHFFFAOYSA-N
Smiles	Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
InChI	InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C12H7Cl3O2
Molecular Weight	289.55
AlogP	5.14
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	29.46
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

Pharmacology

Mechanism of Action	Action	Reference
Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor	INHIBITOR	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	5-900	-	60-220	37
Enzyme	-	5-900	-	0.0019-660	98-99.5
Secreted protein	-	-	-	-	62

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bacillus anthracis	-	500	-	-	-
Escherichia coli	-	5-900	-	-	-
Francisella tularensis subsp. tularensis SCHU S4	-	50-300	-	-	-
Homo sapiens	-	400	-	60	-
Mycobacterium tuberculosis	-	200-630	-	200-220	37
Plasmodium falciparum	-	50-773.9	-	0.0019-660	99.5
Pseudomonas aeruginosa	-	-	-	-	15-29
Staphylococcus aureus	-	25-440	-	-	3.7-9.9
Streptococcus mutans	-	-	-	-	10.9-78.13
Toxoplasma gondii	-	15-15	-	-	98-98

Environmental Exposure

Environmental Exposure Map

Countries
India
Sweden

Cross References

Resources	Reference
ChEBI	164200
ChEMBL	CHEMBL849
DrugBank	DB08604
DrugCentral	3631
FDA SRS	4NM5039Y5X
Human Metabolome Database	HMDB0061385
KEGG	C12059
PDB	TCL
PubChem	5564
SureChEMBL	SCHEMBL3269
ZINC	ZINC000000002216

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).