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Compound Detail

CHEMBL194551

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COc1ccc(-c2cc(CCCc3ccccc3)c(O)nn2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL194551
Phase Preclinical
Structure Type MOL
InChI Key NFJSVXCIOWNADB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
4.04
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O3
MW 350.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
15916433 10.1021/jm050063y Phosphodiesterase 4 1

Data from ChEMBL 36 via Core Engine