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Compound Detail

CHEMBL2012361

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COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012361
Phase Preclinical
Structure Type MOL
InChI Key YHWDNZDJOQNVMP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.77
ALogP
7
HBA
0
HBD
58.6
PSA (Ų)
0.82
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 C19H19NO6
MW 357.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.59

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