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Compound Detail

CHEMBL468794

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COc1cc(NC(C)=O)cc(C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C2=CCCCC2(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468794
Phase Preclinical
Structure Type MOL
InChI Key RDMXSFICQGEOOU-WINAPLSKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
6.66
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37NO5
MW 479.62
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
19036585 10.1016/j.bmcl.2008.11.028 NON-PROTEIN TARGET 1
19036585 10.1016/j.bmcl.2008.11.028 ADMET 1

Data from ChEMBL 36 via Core Engine