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Compound Detail

CHEMBL490616

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COc1ccc2oc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490616
Phase Preclinical
Structure Type MOL
InChI Key FKLGFDMCTWBSTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.28
ALogP
7
HBA
1
HBD
93.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO6
MW 357.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.10

Literature References

PubMed DOI Target Context # Activities
18755591 10.1016/j.bmc.2008.08.029 L1210 1
18755591 10.1016/j.bmc.2008.08.029 FM3A 1
18755591 10.1016/j.bmc.2008.08.029 NON-PROTEIN TARGET 1
18755591 10.1016/j.bmc.2008.08.029 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine