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Compound Detail

CHEMBL3740207

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CCOC(=O)c1ccc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740207
Phase Preclinical
Structure Type MOL
InChI Key VJVQVGZZPZQCBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.4
MW (Da)
5.46
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21FN2O3
MW 416.45
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
26706114 10.1016/j.bmc.2015.11.043 CAAX prenyl protease 2 2
26706114 10.1016/j.bmc.2015.11.043 ADMET 1

Data from ChEMBL 36 via Core Engine