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Compound Detail

CHEMBL4550743

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N#Cc1cc(Cl)cc(Oc2c(C(F)(F)F)ccn(CC(=O)Nc3cccnc3)c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4550743
Phase Preclinical
Structure Type MOL
InChI Key WJSCKAYHDBVHIR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

448.8
MW (Da)
4.22
ALogP
6
HBA
1
HBD
97.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H12ClF3N4O3
MW 448.79
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.94

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30606670 10.1016/j.bmc.2018.12.039 Human immunodeficiency virus 1 3
30606670 10.1016/j.bmc.2018.12.039 Unchecked 3
30606670 10.1016/j.bmc.2018.12.039 MT4 1
30606670 10.1016/j.bmc.2018.12.039 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine