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Compound Detail

CHEMBL201183

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CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL201183
Phase Preclinical
Structure Type MOL
InChI Key DFCUYKHPYGZWOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.19
ALogP
6
HBA
1
HBD
94.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19NO6S
MW 389.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
16451061 10.1021/jm050809s Tubulin 1
16451061 10.1021/jm050809s MCF7 1

Data from ChEMBL 36 via Core Engine