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Compound Detail

CHEMBL4758625

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COc1ccc(-c2nc(C(=O)NC3CCCC3)c(C)s2)c2c1oc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4758625
Phase Preclinical
Structure Type MOL
InChI Key ZHOHAZRRAMYKDD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.70
ALogP
5
HBA
1
HBD
64.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3S
MW 406.51
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.62

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