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Compound Detail

CHEMBL567937

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CCCCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)O[C@H](C)[C@H](N)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567937
Phase Preclinical
Structure Type MOL
InChI Key LTPPXTBEKMGKEX-VWNXMTODSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

523.6
MW (Da)
6.12
ALogP
7
HBA
3
HBD
145.4
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H50NO8P
MW 523.65
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.50

Activity Summary

EC50 2 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast cell
CHEMBL613709
 EC50 8.15 7.575 7.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast cell EC50 = 7.0 nM 8.15 Induction of C57BL/6 mouse peritoneal mast cell degradation assessed as concanav... 19743861
Mast cell EC50 = 100.0 nM 7.0 Induction of Wistar rat peritoneal mast cell degradation assessed as concanavali... 19743861

Literature References

PubMed DOI Target Context # Activities
19743861 10.1021/jm900598m Mast cell 4
19743861 10.1021/jm900598m Mus musculus 3

Data from ChEMBL 36 via Core Engine