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Compound Detail

CHEMBL20468

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CN1CCN(C2c3ccccc3Oc3ccccc32)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL20468
Phase Preclinical
Structure Type MOL
InChI Key XLJHWPSAOJRZQK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.13
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O
MW 280.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
6887196 10.1021/jm00363a003 Rattus norvegicus 5
27448773 10.1016/j.bmc.2016.07.024 Histone-lysine N-methyltransferase SETD7 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine