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Compound Detail

CHEMBL3360158

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CCc1ccccc1Nc1nc2ccsc2c(=O)n1CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360158
Phase Preclinical
Structure Type MOL
InChI Key WHHCGDBEOYWELX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.78
ALogP
5
HBA
1
HBD
46.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H17N3OS
MW 299.40
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
25529739 10.1016/j.bmcl.2014.11.090 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 1
25529739 10.1016/j.bmcl.2014.11.090 3',5'-cyclic-AMP phosphodiesterase 4B 1
25529739 10.1016/j.bmcl.2014.11.090 No relevant target 1

Data from ChEMBL 36 via Core Engine