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Compound Detail

CHEMBL219157

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CCCCn1nc(CC)c2c1-c1nnc(-c3scc(C)c3Cl)n1CC2

Basic Information

ChEMBL ID CHEMBL219157
Phase Preclinical
Structure Type MOL
InChI Key GLTIOOWYKGKJST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.9
MW (Da)
4.75
ALogP
6
HBA
0
HBD
48.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22ClN5S
MW 375.93
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1000.0 nM 6.0 Inhibition of human eosinophil phosphodiesterase 17228876

Literature References

PubMed DOI Target Context # Activities
17228876 10.1021/jm060904g Unchecked 1

Data from ChEMBL 36 via Core Engine