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Compound Detail

CHEMBL4850102

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COc1ccc2c(c1)Cc1cccc(-c3cc(N4CCOCC4)cc(OC)n3)c1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850102
Phase Preclinical
Structure Type MOL
InChI Key OPTRIGBUFHQQNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.66
ALogP
6
HBA
0
HBD
43.8
PSA (Ų)
0.48
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 C24H24N2O3S
MW 420.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
33783225 10.1021/acs.jmedchem.1c00114 Serine-protein kinase ATM 2
33783225 10.1021/acs.jmedchem.1c00114 Phosphatidylinositol 3-kinase catalytic subunit type 3 1
33783225 10.1021/acs.jmedchem.1c00114 Unchecked 1
33783225 10.1021/acs.jmedchem.1c00114 No relevant target 1

Data from ChEMBL 36 via Core Engine