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Compound Detail

CHEMBL3350297

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CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)c4c(cc3nc2-1)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350297
Phase Preclinical
Structure Type MOL
InChI Key IUEWJJAAIDMQGL-OAQYLSRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
1.39
ALogP
9
HBA
2
HBD
125.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O6
MW 407.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
8410981 10.1021/jm00070a013 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine