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Compound Detail

CHEMBL2312903

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N#Cc1ccc2c3c(n(CCCN4CCOCC4)c(=O)c2c1)-c1ccccc1C3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2312903
Phase Preclinical
Structure Type MOL
InChI Key FZBCOKCSHBGUCP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
2.81
ALogP
6
HBA
0
HBD
75.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O3
MW 399.45
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
23259865 10.1021/jm3014458 DNA topoisomerase 1 1
23259865 10.1021/jm3014458 Tyrosyl-DNA phosphodiesterase 1 1
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 1
25909279 10.1021/acs.jmedchem.5b00303 DNA topoisomerase 1 1
25909279 10.1021/acs.jmedchem.5b00303 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine