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Compound Detail

CHEMBL254876

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COc1cc(OC)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL254876
Phase Preclinical
Structure Type MOL
InChI Key DWEOJWDYGBZNEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.9
MW (Da)
3.91
ALogP
7
HBA
1
HBD
69.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3O4
MW 417.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
18197612 10.1021/jm701385c Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine