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Compound Detail

CHEMBL86170

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O=C1C2CCCCC2C(c2cccc(Cl)c2)=NN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL86170
Phase Preclinical
Structure Type MOL
InChI Key HPBQZWUNIXOGTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

352.9
MW (Da)
4.89
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.77
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 C21H21ClN2O
MW 352.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.90

Literature References

PubMed DOI Target Context # Activities
11472206 10.1021/jm010838c Phosphodiesterase 4 1
11472206 10.1021/jm010838c Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine