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Compound Detail

CHEMBL261385

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COc1ccc(-c2nc3c4ccc(F)cc4c4c(=O)[nH]ccc4c3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261385
Phase Preclinical
Structure Type MOL
InChI Key ADSNNYRCBVHWCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
4.37
ALogP
3
HBA
2
HBD
70.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14FN3O2
MW 359.36
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
18029174 10.1016/j.bmcl.2007.10.033 Unchecked 1
26088337 10.1016/j.bmc.2015.05.045 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine