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Compound Detail

CHEMBL2012360

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COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)CN(c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012360
Phase Preclinical
Structure Type MOL
InChI Key ODLXXMWHARUJEE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
4.35
ALogP
7
HBA
0
HBD
58.6
PSA (Ų)
0.63
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 C24H21NO6
MW 419.43
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.19

Literature References

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

Data from ChEMBL 36 via Core Engine