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Compound Detail

CHEMBL4225052

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CC1(C)C2CC=C(COC(=O)Cc3ccc(OC/C=C/S(=O)(=O)c4ccccc4)cc3)C1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225052
Phase Preclinical
Structure Type MOL
InChI Key WBKOQTLTVSCDEG-OMCISZLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.6
MW (Da)
5.13
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H30O5S
MW 466.60
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.43

Literature References

PubMed DOI Target Context # Activities
29609908 10.1016/j.bmcl.2018.03.039 Trypanosoma brucei 1
29609908 10.1016/j.bmcl.2018.03.039 HepG2 1
29609908 10.1016/j.bmcl.2018.03.039 Rhodesain 1

Data from ChEMBL 36 via Core Engine