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Compound Detail

CHEMBL571759

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

Basic Information

ChEMBL ID CHEMBL571759
Phase Preclinical
Structure Type MOL
InChI Key VUXNYHHUFOTRRK-IRLDBZIGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
5.34
ALogP
7
HBA
3
HBD
145.4
PSA (Ų)
0.10
QED
1
Ro5 Violations
23
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H46NO8P
MW 495.59
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 0.53

Activity Summary

EC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mast cell
CHEMBL613709
 EC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mast cell EC50 = 60.0 nM 7.22 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

Data from ChEMBL 36 via Core Engine