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Compound Detail

CHEMBL4762087

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

Basic Information

ChEMBL ID CHEMBL4762087
Phase Preclinical
Structure Type MOL
InChI Key ZGNOLMCIHRROPB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.60
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.50
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 C18H12F2N2O4S
MW 390.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.02

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
27713015 10.1016/j.bmc.2016.09.011 Mus musculus 1

Data from ChEMBL 36 via Core Engine