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Compound Detail

CHEMBL491598

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COc1cc(C(=O)c2oc3cccc(OC)c3c2N(C)C)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491598
Phase Preclinical
Structure Type MOL
InChI Key SKDYFSCYBWZETQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.76
ALogP
7
HBA
0
HBD
70.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO6
MW 385.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.13

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