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Compound Detail

CHEMBL425529

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COc1cccc(-c2c3n(c(=O)n(CC(N)c4ccccc4)c2=O)C(c2ccccc2)CO3)c1F

Basic Information

ChEMBL ID CHEMBL425529
Phase Preclinical
Structure Type MOL
InChI Key UHWFKVBMPMUNLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
3.51
ALogP
7
HBA
1
HBD
88.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24FN3O4
MW 473.50
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.41

Activity Summary

Ki 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
Ki 6.9 6.9 125.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15713397 10.1016/j.bmcl.2005.01.009 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine