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Compound Detail

CHEMBL4750994

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O=C(NCC(F)(F)F)c1csc(-c2ccc(OC(F)F)c3oc4ccccc4c23)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4750994
Phase Preclinical
Structure Type MOL
InChI Key MMBUIMWEPOYALA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
5.60
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H11F5N2O3S
MW 442.37
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
27713015 10.1016/j.bmc.2016.09.011 3',5'-cyclic-AMP phosphodiesterase 4B 3
27713015 10.1016/j.bmc.2016.09.011 Unchecked 3

Data from ChEMBL 36 via Core Engine