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Compound Detail

CHEMBL387677

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Cc1cccc2c1[nH]c(=O)c1ccc(C(F)(F)F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL387677
Phase Preclinical
Structure Type MOL
InChI Key WCCAYTFSJPXARC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.2
MW (Da)
4.01
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 C15H10F3NO
MW 277.24
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.90

Activity Summary

IC50 2 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