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Compound Detail

CHEMBL237640

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COc1ccccc1CN1CCc2c(c(=O)n(CCN(C)CCc3ccccn3)c(=O)n2Cc2c(F)cccc2F)C1

Basic Information

ChEMBL ID CHEMBL237640
Phase Preclinical
Structure Type MOL
InChI Key XEKPCGPXQHLERF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

575.7
MW (Da)
3.47
ALogP
8
HBA
0
HBD
72.6
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H35F2N5O3
MW 575.66
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
17561404 10.1016/j.bmc.2007.05.029 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine