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Compound Detail

CHEMBL3597753

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COc1ccc2c(c1OC)-c1ccc3cc4c(cc3c1N(C)C2)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597753
Phase Preclinical
Structure Type MOL
InChI Key CEHUJSSTUSTDJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.20
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO4
MW 349.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.73

Literature References

PubMed DOI Target Context # Activities
26026362 10.1016/j.bmcl.2015.05.031 HCT-116 1
26026362 10.1016/j.bmcl.2015.05.031 HL-60 1

Data from ChEMBL 36 via Core Engine