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Compound Detail

CHEMBL450870

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C=CCCCCCCCCC(=O)Nc1cc(CO)cc(C(=O)OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450870
Phase Preclinical
Structure Type MOL
InChI Key MMZLMJVGVKWPMW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.5
MW (Da)
4.21
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H29NO4
MW 347.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
19438240 10.1021/jm900229p Protein kinase C alpha type 2
19438240 10.1021/jm900229p Protein kinase C delta type 2

Data from ChEMBL 36 via Core Engine