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Compound Detail

CHEMBL2392776

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Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2392776
Phase Preclinical
Structure Type MOL
InChI Key MSTZGVRUOMBULC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.3
MW (Da)
3.67
ALogP
4
HBA
4
HBD
92.5
PSA (Ų)
0.37
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 C15H12F6N2O2
MW 366.26
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.09

Literature References

PubMed DOI Target Context # Activities
23643898 10.1016/j.bmc.2013.04.012 Unchecked 1

Data from ChEMBL 36 via Core Engine