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Compound Detail

CHEMBL218802

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CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C\2COc1ccc(C(=O)OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218802
Phase Preclinical
Structure Type MOL
InChI Key HMPQXXKNUDGPMM-ANYBSYGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.6
MW (Da)
7.37
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H33NO3
MW 503.64
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
16890431 10.1016/j.bmcl.2006.07.078 cAMP-dependent protein kinase (PKA) 1
16890431 10.1016/j.bmcl.2006.07.078 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine