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Compound Detail

CHEMBL101925

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CC(C)C[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)Cc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101925
Phase Preclinical
Structure Type MOL
InChI Key AKYKXMGNIITTBX-JOCHJYFZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
3.12
ALogP
5
HBA
1
HBD
87.7
PSA (Ų)
0.40
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H35N2O5P
MW 450.52
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.12

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1501221 10.1021/jm00094a003 Phospholipase A2, major isoenzyme 2

Data from ChEMBL 36 via Core Engine