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Compound Detail

CHEMBL387678

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O=c1[nH]c2ccc(C(F)(F)F)cc2c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387678
Phase Preclinical
Structure Type MOL
InChI Key VMEWWDIKHSWIGD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.2
MW (Da)
3.70
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8F3NO
MW 263.22
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17158051 10.1016/j.bmc.2006.11.026 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine