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Compound Detail

CHEMBL2235203

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COc1cc(/C=C2\CCCC3C2=NN(C(C)=O)C3c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2235203
Phase Preclinical
Structure Type MOL
InChI Key QJQRVOITZZPHFB-DEDYPNTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

506.6
MW (Da)
4.70
ALogP
8
HBA
0
HBD
103.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2O7
MW 506.56
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-010-9521-0 NON-PROTEIN TARGET 1
- 10.1007/s00044-010-9521-0 RAW264.7 1

Data from ChEMBL 36 via Core Engine