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Compound Detail

CHEMBL466541

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N[C@@H](Cn1c(=O)c(Cc2c(F)cccc2F)nn(-c2ccccc2F)c1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL466541
Phase Preclinical
Structure Type MOL
InChI Key LIVUUMGDWYZXRC-FQEVSTJZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.4
MW (Da)
3.10
ALogP
6
HBA
1
HBD
82.9
PSA (Ų)
0.49
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 C24H19F3N4O2
MW 452.44
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.98

Activity Summary

Ki 1 meas. best 6.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gonadotropin-releasing hormone receptor
CHEMBL1855
 Ki 6.24 6.24 580.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gonadotropin-releasing hormone receptor Ki = 580.0 nM 6.24 Binding affinity at human GnRH receptor 18419112

Literature References

PubMed DOI Target Context # Activities
18419112 10.1021/jm701249f Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine