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Compound Detail

CHEMBL216984

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CCc1cccc2c1CNc1c(cccc1CCc1ccccc1)/C=C\2COc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL216984
Phase Preclinical
Structure Type MOL
InChI Key LQCVAVYPEQSXJN-OOAXWGSJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

490.6
MW (Da)
7.49
ALogP
4
HBA
1
HBD
64.4
PSA (Ų)
0.21
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30N2O3
MW 490.60
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.20

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