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Compound Detail

CHEMBL196537

CHLORDANE
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ClC1=C(Cl)C2(Cl)C3C(Cl)C(Cl)CC3C1(Cl)C2(Cl)Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL196537
Name CHLORDANE
Phase Preclinical
Structure Type MOL
InChI Key BIWJNBZANLAXMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

409.8
MW (Da)
5.68
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6Cl8
MW 409.78
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.59

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 10000.0 nM 5.0 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935

Literature References

PubMed DOI Target Context # Activities
16134935 10.1021/jm050403f Androgen receptor 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1

Data from ChEMBL 36 via Core Engine