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Compound Detail

CHEMBL222577

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CC(=O)c1ccc(-c2cc(=O)cc(N3CCOCC3)o2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222577
Phase Preclinical
Structure Type MOL
InChI Key QCTFBHUNXGTZBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
2.41
ALogP
6
HBA
0
HBD
59.8
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15NO4S
MW 305.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
17371003 10.1021/jm061121y Serine-protein kinase ATM 1

Data from ChEMBL 36 via Core Engine