HEXACHLOROPHENE

Search structure
Trade Names:
Synonyms:
Status: Approved (1949)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D08AE01
UNII: IWW5FV6NK2

Structure
InChI Key ACGUYXCXAPNIKK-UHFFFAOYSA-N
Smile Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)12(20)4(10(6)18)1-5-11(19)7(15)3-9(17)13(5)21/h2-3,20-21H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H6Cl6O2
Molecular Weight 406.91
AlogP 6.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 40.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial enoyl-[acyl-carrier-protein] reductase inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 1600 - - -
Enzyme Phosphodiesterase
- 11000 - - -
Enzyme Transferase
- 51000 - - -
Enzyme
- 11000 - 5550 85
Other cytosolic protein
- 1300 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 3
Unclassified protein
- 9100-9100 - - 96-101

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
42.86
General disorders and administration site conditions
28.57
Infections and infestations
14.29
Nervous system disorders
14.29

Cross References

Resources Reference
CAS NUMBER 70-30-4
ChEBI 5693
ChEMBL CHEMBL496
DrugBank DB00756
DrugCentral 1364
EPA CompTox DTXSID6020690
FDA SRS IWW5FV6NK2
Human Metabolome Database HMDB0014894
Guide to Pharmacology 11069
KEGG C08039
PDB H3P
PharmGKB PA449871
PubChem 3598
SureChEMBL SCHEMBL15579
ZINC ZINC000001530968
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