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Compound Detail

CHEMBL199392

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COC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccc(OC)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199392
Phase Preclinical
Structure Type MOL
InChI Key RKGCTVYCLIHJPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.8
MW (Da)
3.45
ALogP
5
HBA
1
HBD
85.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClNO5S
MW 379.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.01

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