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Compound Detail

CHEMBL3094261

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N#C/N=C(\NCCCCCCS(=O)(=O)N(OCCN1CCOCC1)C1CCCC1)Nc1ccncc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3094261
Phase Preclinical
Structure Type MOL
InChI Key FUCNFPVULQQOIL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
2.32
ALogP
8
HBA
2
HBD
132.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H39N7O4S
MW 521.69
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -1.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
24164086 10.1021/jm4009949 MCF7 1
24164086 10.1021/jm4009949 A2780 1

Data from ChEMBL 36 via Core Engine