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Compound Detail

CHEMBL388693

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COC(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388693
Phase Preclinical
Structure Type MOL
InChI Key ARZDBTKIMHITPH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
5.09
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14F4N2O2
MW 414.36
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.75

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17663538 10.1021/jm060103d Human immunodeficiency virus type 1 reverse transcriptase 1
17663538 10.1021/jm060103d CCRF-CEM 1
17663538 10.1021/jm060103d Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine