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Compound Detail

CHEMBL2019127

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COc1cc(N)ccc1-c1nc2snc(-c3ccccc3)c2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2019127
Phase Preclinical
Structure Type MOL
InChI Key WRYJIQJRQRGBCZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.30
ALogP
6
HBA
2
HBD
93.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4O2S
MW 350.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
22487174 10.1016/j.bmcl.2012.03.025 High affinity 3',5'-cyclic-AMP phosphodiesterase 7A 2

Data from ChEMBL 36 via Core Engine