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Compound Detail

CHEMBL4172747

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COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@H](N)C3CCOC3)c2=O)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172747
Phase Preclinical
Structure Type MOL
InChI Key AKJRAWSLZWXWHZ-MBABXSBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.5
MW (Da)
2.82
ALogP
7
HBA
1
HBD
88.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26F3N3O4
MW 489.49
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
29335207 10.1016/j.ejmech.2017.12.095 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine