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Compound Detail

CHEMBL88853

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CCCCn1nc2c3ccccc3n(CCc3ccccc3)cc-2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL88853
Phase Preclinical
Structure Type MOL
InChI Key LMYMCBGRIIZIGT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.35
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O
MW 345.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.27

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11128646 10.1016/s0960-894x(00)00548-5 Phosphodiesterase 4 2
11128646 10.1016/s0960-894x(00)00548-5 Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine