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Compound Detail

CHEMBL3597140

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CCOc1ccc(-c2nc(C(C)(C)C)sc2-c2cc(OC)c(OC)c(OC)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3597140
Phase Preclinical
Structure Type MOL
InChI Key CTOSQMMLNRGSTF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
6.20
ALogP
6
HBA
0
HBD
49.8
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO4S
MW 427.57
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
25937236 10.1016/j.bmc.2015.04.055 NON-PROTEIN TARGET 2
25937236 10.1016/j.bmc.2015.04.055 SK-OV-3 1
25937236 10.1016/j.bmc.2015.04.055 HepG2 1
25937236 10.1016/j.bmc.2015.04.055 HCT-116 1

Data from ChEMBL 36 via Core Engine