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Compound Detail

CHEMBL3617122

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CC[C@H]1CC[C@H](c2ccc(NC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3617122
Phase Preclinical
Structure Type MOL
InChI Key RZKWPPZBHVAIQC-WKILWMFISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
7.20
ALogP
1
HBA
2
HBD
24.1
PSA (Ų)
0.53
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 C22H25F3N2S
MW 406.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
26119992 10.1016/j.ejmech.2015.06.027 Pseudomonas aeruginosa 3
26119992 10.1016/j.ejmech.2015.06.027 Escherichia coli 3
26119992 10.1016/j.ejmech.2015.06.027 ADMET 3
26119992 10.1016/j.ejmech.2015.06.027 Candida albicans 2
26119992 10.1016/j.ejmech.2015.06.027 NON-PROTEIN TARGET 2
26119992 10.1016/j.ejmech.2015.06.027 Bordetella bronchiseptica 1
26119992 10.1016/j.ejmech.2015.06.027 Candida parapsilosis 1
26119992 10.1016/j.ejmech.2015.06.027 MT4 1
26119992 10.1016/j.ejmech.2015.06.027 Human immunodeficiency virus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Yellow fever virus 1
26119992 10.1016/j.ejmech.2015.06.027 Coxsackievirus B5 1
26119992 10.1016/j.ejmech.2015.06.027 Poliovirus 1 1
26119992 10.1016/j.ejmech.2015.06.027 Rice stripe virus 1
26119992 10.1016/j.ejmech.2015.06.027 Vesicular stomatitis virus 1
26119992 10.1016/j.ejmech.2015.06.027 Vaccinia virus 1
26119992 10.1016/j.ejmech.2015.06.027 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine