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Compound Detail

CHEMBL369101

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COc1cccc(-c2c(C)n(CCN(C)CCc3ccccn3)c(=O)n(Cc3c(F)cccc3F)c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369101
Phase Preclinical
Structure Type MOL
InChI Key IIYOQMQCYJBONT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
3.89
ALogP
7
HBA
0
HBD
69.4
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30F2N4O3
MW 520.58
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
15664839 10.1016/j.bmcl.2004.11.026 Gonadotropin-releasing hormone receptor 1

Data from ChEMBL 36 via Core Engine