CHLOROPHENOTHANE

Search structure
Synonyms:
Ddt
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: CIW5S16655

Structure
InChI Key YVGGHNCTFXOJCH-UHFFFAOYSA-N
Smile Clc1ccc(C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1
InChI
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H9Cl5
Molecular Weight 354.49
AlogP 6.5
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
- 18197 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 116

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 16130
ChEMBL CHEMBL416898
DrugBank DB13424
DrugCentral 4396
EPA CompTox DTXSID4020375
FDA SRS CIW5S16655
Human Metabolome Database HMDB0032127
KEGG C04623
PDB 6WT
SureChEMBL SCHEMBL7181
ZINC ZINC000001530011
CONTENTS