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Compound Detail

CHEMBL262787

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CCCC(=O)Nc1ccc(-c2cn3c(=O)c(C(=O)OCC)cn(Cc4ccccc4F)c3n2)cc1

Basic Information

ChEMBL ID CHEMBL262787
Phase Preclinical
Structure Type MOL
InChI Key MJOHYEKKPHPIJA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
4.27
ALogP
7
HBA
1
HBD
94.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25FN4O4
MW 476.51
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.65

Activity Summary

Ki 1 meas. best 4.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
Ki 4.52 4.52 30000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12127532 10.1016/s0960-894x(02)00370-0 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine