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Compound Detail

CHEMBL4091090

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COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)CCC(C)(C)O3)CC2COC2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091090
Phase Preclinical
Structure Type MOL
InChI Key TZLVJZORPRFLKP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.6
MW (Da)
3.64
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31NO6S
MW 461.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.51

Literature References

PubMed DOI Target Context # Activities
28285917 10.1016/j.bmcl.2017.02.073 Unchecked 1

Data from ChEMBL 36 via Core Engine