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Compound Detail

CHEMBL64252

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COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(CCNCCc3ccccc3)c2=O)c1

Basic Information

ChEMBL ID CHEMBL64252
Phase Preclinical
Structure Type MOL
InChI Key CVFKNTQLBQXYCR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

505.6
MW (Da)
4.15
ALogP
6
HBA
1
HBD
65.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29F2N3O3
MW 505.57
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.96

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
Ki 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12747774 10.1021/jm034041s Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine