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Compound Detail

CHEMBL303851

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N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)[nH]1

Basic Information

ChEMBL ID CHEMBL303851
Phase Preclinical
Structure Type MOL
InChI Key WOOGDOFSBFHNTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
3.71
ALogP
2
HBA
2
HBD
68.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O
MW 291.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.20

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Progesterone receptor
CHEMBL208
EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15081005 10.1016/j.bmcl.2004.02.054 Progesterone receptor 2

Data from ChEMBL 36 via Core Engine