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Compound Detail

CHEMBL4752629

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Cc1sc(-c2ccc(OC(F)F)c3oc4ccc(NS(C)(=O)=O)cc4c23)nc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4752629
Phase Preclinical
Structure Type MOL
InChI Key DTYKVMQSQQMKMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
4.69
ALogP
7
HBA
2
HBD
118.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14F2N2O6S2
MW 468.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.15

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