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Compound Detail

CHEMBL2012367

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COC(=O)CN1Cc2cc(OC)c3c(c2-c2c(cc(OC)c4c2OCO4)C1=O)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012367
Phase Preclinical
Structure Type MOL
InChI Key CRXXSCXSAJLNRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.4
MW (Da)
1.96
ALogP
9
HBA
0
HBD
102.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO9
MW 429.38
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.46

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