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Compound Detail

CHEMBL53373

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CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(C(=O)Nc3c(Cl)cncc3Cl)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53373
Phase Preclinical
Structure Type MOL
InChI Key UABXQCCWRDSYTF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
5.70
ALogP
5
HBA
1
HBD
81.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19Cl2N3O3S
MW 488.40
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 4
CHEMBL2093863
 IC50 5.54 5.54 2900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 4 IC50 = 2900.0 nM 5.54 Inhibitory activity against Phosphodiesterase type IV (PDE4) obtained from guine... 9873449

Literature References

PubMed DOI Target Context # Activities
9873449 10.1016/s0960-894x(98)00324-2 Phosphodiesterase 4 2
9873449 10.1016/s0960-894x(98)00324-2 PBMC 2
9873449 10.1016/s0960-894x(98)00324-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine