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Compound Detail

CHEMBL1813928

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COc1cc2c3c(-c4ccc(OC(C)C)c(OC)c4)c(-c4ccc(OC(C)C)c(OC)c4)[nH]c(=O)c3n(Cc3ccccc3)c2cc1OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813928
Phase Preclinical
Structure Type MOL
InChI Key MYIMVNLOVOKREF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

738.9
MW (Da)
10.04
ALogP
8
HBA
1
HBD
93.2
PSA (Ų)
0.12
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H46N2O7
MW 738.88
Aromatic Rings 7
Heavy Atoms 55
NP-Likeness -0.26

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