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Compound Detail

CHEMBL132267

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CCCCc1nc(NCc2ccc(-c3ccccc3)cc2)c2sccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL132267
Phase Preclinical
Structure Type MOL
InChI Key ZKAYMUOGYAYTDV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
6.31
ALogP
4
HBA
1
HBD
37.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3S
MW 373.53
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9767640 10.1021/jm981012m Phosphodiesterase 4 2
9767640 10.1021/jm981012m Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine