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Compound Detail

CHEMBL4854138

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O=c1cc(N2CCOCC2)cc(N2CCC(Cc3ccccc3)C2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4854138
Phase Preclinical
Structure Type MOL
InChI Key BBPKTGLGWZPYBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.28
ALogP
4
HBA
1
HBD
48.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O2
MW 339.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
33783225 10.1021/acs.jmedchem.1c00114 Serine-protein kinase ATM 2
33783225 10.1021/acs.jmedchem.1c00114 No relevant target 1

Data from ChEMBL 36 via Core Engine