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Compound Detail

CHEMBL351759

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CCCCCCCCCCCCCCOc1ccc(COC(=O)NCc2cccc[n+]2CC)cc1.O=S(=O)([O-])C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351759
Phase Preclinical
Structure Type MOL
InChI Key NOKITBQLPUDHIH-UHFFFAOYSA-N
Parent Compound CHEMBL1184480
Active Moiety CHEMBL1184480
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.7
MW (Da)
7.50
ALogP
3
HBA
1
HBD
51.4
PSA (Ų)
0.17
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H47F3N2O6S
MW 632.79
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
8496938 10.1021/jm00057a008 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine