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Compound Detail

CHEMBL230301

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CCn1c2ccccc2c2cc(/C=C/c3ccc(OC)nc3OC)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL230301
Phase Preclinical
Structure Type MOL
InChI Key HMMZFPOCBBYYMS-PKNBQFBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
5.40
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O2
MW 358.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
17197178 10.1016/j.bmcl.2006.12.034 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine