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Compound Detail

CHEMBL4784700

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O=C(c1csc(-c2ccc(OC(F)F)c3oc4ccc(C(F)(F)F)cc4c23)n1)N1CCC(O)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784700
Phase Preclinical
Structure Type MOL
InChI Key LFKUGFUTEAYKOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
5.93
ALogP
6
HBA
1
HBD
75.8
PSA (Ų)
0.34
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F5N2O4S
MW 512.46
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.13

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