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Compound Detail

CHEMBL72213

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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCO3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72213
Phase Preclinical
Structure Type MOL
InChI Key HMYGIAFIUNLLIK-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.5
MW (Da)
1.56
ALogP
10
HBA
1
HBD
106.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O6
MW 504.54
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
9632354 10.1021/jm9605445 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine