EcoDrugPlus


Synonyms	4,4'-ddt Chlorophenothane Chlorphenotane Clofenotane Ddt Ddt, p,p'- Dicophane ENT-1506 NSC-8939 P,p'-ddt Penticide
Status
Molecule Category	Free-form
UNII	CIW5S16655
EPA CompTox	DTXSID4020375


InChI Key	YVGGHNCTFXOJCH-UHFFFAOYSA-N
Smiles	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

Property Name	Value
Molecular Formula	C14H9Cl5
Molecular Weight	354.49
AlogP	6.5
Number of Rotational Bond	2.0
Heavy Atoms	19.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	116.15-124.55

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	116.15-124.55

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

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

CHLOROPHENOTHANE

Structure

Physicochemical Descriptors

Pharmacology

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