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Compound Detail

CHEMBL361619

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NC(Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)C(c1ccccc1)CO2)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361619
Phase Preclinical
Structure Type MOL
InChI Key UJAOMETUOCOAHK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.5
MW (Da)
3.50
ALogP
6
HBA
1
HBD
79.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22FN3O3
MW 443.48
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.54

Activity Summary

Ki 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
 Ki 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor Ki = 700.0 nM 6.16 Binding affinity was determined against human gonadotropin-releasing hormone rec... 15713397

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