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Compound Detail

CHEMBL215181

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COc1ccc(S(=O)(=O)N2CCc3cccc(NCc4ccccc4)c32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL215181
Phase Preclinical
Structure Type MOL
InChI Key BPIQUBNPOLTJST-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
4.06
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.69
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 C22H22N2O3S
MW 394.50
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
17154496 10.1021/jm061076u KB 2
17154496 10.1021/jm061076u MKN-45 1
17154496 10.1021/jm061076u NCI-H460 1
17154496 10.1021/jm061076u HT-29 1
17154496 10.1021/jm061076u TSGH 9201 1
17154496 10.1021/jm061076u Tubulin 1

Data from ChEMBL 36 via Core Engine