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Compound Detail

CHEMBL2312885

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CC(C)(C)OC(=O)NCCCn1c2c(c3ccc(NC(=O)CCCC(=O)O)cc3c1=O)C(=O)c1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312885
Phase Preclinical
Structure Type MOL
InChI Key XLHOJFFGOALGSX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

533.6
MW (Da)
4.32
ALogP
7
HBA
3
HBD
143.8
PSA (Ų)
0.27
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 C29H31N3O7
MW 533.58
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.50

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