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Compound Detail

CHEMBL1813930

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COc1cc(-c2[nH]c(=O)c3c(c2-c2ccc(O)c(OC)c2)c2cc(OC)c(O)cc2n3Cc2ccccc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813930
Phase Preclinical
Structure Type MOL
InChI Key UBPJACWLZBZINP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

564.6
MW (Da)
6.01
ALogP
8
HBA
4
HBD
126.2
PSA (Ų)
0.19
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H28N2O7
MW 564.59
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness 0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21783369 10.1016/j.bmc.2011.06.056 DNA topoisomerase 1 1
21783369 10.1016/j.bmc.2011.06.056 NCI-H460 1

Data from ChEMBL 36 via Core Engine