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Compound Detail

CHEMBL1911778

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CCCCCCCc1ccc(NS(=O)(=O)c2ccc(N3CCNC3=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1911778
Phase Preclinical
Structure Type MOL
InChI Key JFZNRHCQTAOOHK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
4.53
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N3O3S
MW 415.56
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
21920638 10.1016/j.ejmech.2011.08.034 HT-29 1
21920638 10.1016/j.ejmech.2011.08.034 M21 1
21920638 10.1016/j.ejmech.2011.08.034 MCF7 1

Data from ChEMBL 36 via Core Engine