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Compound Detail

CHEMBL2322285

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O=C1c2ccccc2-c2c1c1ccc(Br)cc1c(=O)n2CCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2322285
Phase Preclinical
Structure Type MOL
InChI Key KFIJMETWRYUUAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
3.70
ALogP
5
HBA
0
HBD
51.5
PSA (Ų)
0.47
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 C23H21BrN2O3
MW 453.34
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
23472886 10.1021/jm400026k Retinoic acid receptor RXR-alpha 3
23472886 10.1021/jm400026k COS-1 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