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Compound Detail

CHEMBL488356

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COc1cc(/C(=N/OC(C)=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL488356
Phase Preclinical
Structure Type MOL
InChI Key OHFCDDJBOIINNW-LSDHQDQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.52
ALogP
7
HBA
0
HBD
71.3
PSA (Ų)
0.37
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 C21H22N2O5
MW 382.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
18502133 10.1016/j.bmc.2008.04.054 Unchecked 1
18502133 10.1016/j.bmc.2008.04.054 HL-60 1

Data from ChEMBL 36 via Core Engine