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Compound Detail

CHEMBL154856

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CCCCCCCCCCCCCCOc1ccc(CNC(=O)c2cccc[n+]2CC)cc1.O=S(=O)([O-])C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL154856
Phase Preclinical
Structure Type MOL
InChI Key KDIHXAYVYYUHKN-UHFFFAOYSA-N
Parent Compound CHEMBL1181079
Active Moiety CHEMBL1181079
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.7
MW (Da)
7.00
ALogP
2
HBA
1
HBD
42.2
PSA (Ų)
0.19
QED
1
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H45F3N2O5S
MW 602.76
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.65

Literature References

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

Data from ChEMBL 36 via Core Engine