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Compound Detail

CHEMBL4853674

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COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)[nH]c(=O)c3)c1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853674
Phase Preclinical
Structure Type MOL
InChI Key DOHPSFSSPRDSCQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
3.94
ALogP
5
HBA
1
HBD
54.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3S
MW 406.51
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.63

Literature References

PubMed DOI Target Context # Activities
33783225 10.1021/acs.jmedchem.1c00114 Serine-protein kinase ATM 2

Data from ChEMBL 36 via Core Engine