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Compound Detail

CHEMBL24672

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CC1(C)OC(S)=Nc2ccc(-c3ccccc3Cl)cc21

Basic Information

ChEMBL ID CHEMBL24672
Phase Preclinical
Structure Type MOL
InChI Key IUJHXSNSAUOSSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
5.19
ALogP
2
HBA
1
HBD
21.6
PSA (Ų)
0.72
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14ClNOS
MW 303.81
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.12

Activity Summary

EC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 7.3 7.3 49.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657271 10.1016/s0960-894x(03)00128-8 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine