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Compound Detail

CHEMBL4782414

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CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(-c4nc(C(=O)Nc5c(Cl)cncc5Cl)cs4)c3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782414
Phase Preclinical
Structure Type MOL
InChI Key OMPFOIYAQLCZEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

599.4
MW (Da)
6.64
ALogP
8
HBA
2
HBD
123.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H14Cl2F2N4O5S2
MW 599.42
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.48

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