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Compound Detail

CHEMBL2012355

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CCN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012355
Phase Preclinical
Structure Type MOL
InChI Key JGDOVRWMYLCPKT-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
3.16
ALogP
7
HBA
0
HBD
58.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21NO6
MW 371.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.35

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
22405646 10.1016/j.ejmech.2012.02.034 K562 2
22405646 10.1016/j.ejmech.2012.02.034 NON-PROTEIN TARGET 1
22405646 10.1016/j.ejmech.2012.02.034 ADMET 1

Data from ChEMBL 36 via Core Engine