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Compound Detail

CHEMBL3601489

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O=C1c2ccc(S(=O)(=O)N3CCCCCCC3)cc2C(=O)c2cc(S(=O)(=O)N3CCCCCCC3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3601489
Phase Preclinical
Structure Type MOL
InChI Key QOWJPWBWUFNBNX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

558.7
MW (Da)
4.37
ALogP
6
HBA
0
HBD
108.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N2O6S2
MW 558.72
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
26182238 10.1021/acs.jmedchem.5b00460 HT-29 1
26182238 10.1021/acs.jmedchem.5b00460 Unchecked 1

Data from ChEMBL 36 via Core Engine