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Compound Detail

CHEMBL1085365

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CNC(=O)c1nc(Cc2ccc(F)cc2)n(C)c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085365
Phase Preclinical
Structure Type MOL
InChI Key CSLAYQPCODEDRC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
0.58
ALogP
5
HBA
2
HBD
84.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14FN3O3
MW 291.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.91

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20457521 10.1016/j.bmcl.2010.04.048 Unchecked 2

Data from ChEMBL 36 via Core Engine