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Compound Detail

CHEMBL459698

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CC1=C(CSc2ccc(C)cc2)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459698
Phase Preclinical
Structure Type MOL
InChI Key NNRBDYUURNOZPC-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
4.77
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.80
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 C22H24O2S
MW 352.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.48

Literature References

PubMed DOI Target Context # Activities
8864242 10.1021/np960450y HL-60 1

Data from ChEMBL 36 via Core Engine