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Compound Detail

CHEMBL2171955

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Fc1ccc(Nc2ccc(F)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171955
Phase Preclinical
Structure Type MOL
InChI Key OHBUXXYCMFNBOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
4.86
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.69
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 C16H11F2N
MW 255.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
26150289 10.1016/j.ejmech.2015.06.036 Human immunodeficiency virus type 1 integrase 2
22966981 10.1021/jm301105m Unchecked 1
26150289 10.1016/j.ejmech.2015.06.036 Human immunodeficiency virus 1 1
26150289 10.1016/j.ejmech.2015.06.036 MT4 1

Data from ChEMBL 36 via Core Engine