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Compound Detail

CHEMBL194400

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

Basic Information

ChEMBL ID CHEMBL194400
Name HEPTACHLOR
Phase Preclinical
Structure Type MOL
InChI Key FRCCEHPWNOQAEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
5.24
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H5Cl7
MW 373.32
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.75

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 IC50 4.87 4.87 13489.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 13489.63 nM 4.87 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935

Literature References

PubMed DOI Target Context # Activities
16134935 10.1021/jm050403f Androgen receptor 1
8917702 10.1006/taap.1996.0286 ATP-dependent translocase ABCB1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine