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Compound Detail

CHEMBL2312569

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COC(=O)CCCC(=O)Nc1ccc2c3c(n(CCCNC(=O)OC(C)(C)C)c(=O)c2c1)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312569
Phase Preclinical
Structure Type MOL
InChI Key BRHPJQDYYFHAKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

547.6
MW (Da)
4.41
ALogP
8
HBA
2
HBD
132.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33N3O7
MW 547.61
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine