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Compound Detail

CHEMBL1818943

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O=C(O)c1cn(-c2ccccc2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1818943
Phase Preclinical
Structure Type MOL
InChI Key WDAUMDLSAJOINS-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.8
MW (Da)
4.78
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClFNO4
MW 423.83
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.42

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21862337 10.1016/j.bmc.2011.07.037 Human immunodeficiency virus 1 2
21862337 10.1016/j.bmc.2011.07.037 C8166 1
21862337 10.1016/j.bmc.2011.07.037 Unchecked 1

Data from ChEMBL 36 via Core Engine