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Compound Detail

CHEMBL25415

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CC1(c2ccccc2)OC(S)=Nc2ccc(-c3cccc(Cl)c3)cc21

Basic Information

ChEMBL ID CHEMBL25415
Phase Preclinical
Structure Type MOL
InChI Key YBBTTYFZWTXGQD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.9
MW (Da)
6.22
ALogP
2
HBA
1
HBD
21.6
PSA (Ų)
0.53
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16ClNOS
MW 365.89
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.12

Activity Summary

EC50 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 8.24 8.24 5.7 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