Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5087983

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)[C@H](C)NP(=O)(/C=C/C=C(C)C)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087983
Phase Preclinical
Structure Type MOL
InChI Key RRFWHTHWIOSKTH-NVEFUUHHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
3.89
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22NO4P
MW 323.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.45

Activity Summary

EC50 2 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.96 4.54 11000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 11000.0 nM 4.96 Induction of cell proliferation in human Vgamma9Vdelta2-T cells stimulated with ... 35178171
Unchecked EC50 = 75000.0 nM 4.12 Induction of IFN-gamma production in human Vgamma9Vdelta2-T cells incubated for ... 35178171

Literature References

PubMed DOI Target Context # Activities
35178171 10.1021/acsmedchemlett.1c00408 Unchecked 5
35178171 10.1021/acsmedchemlett.1c00408 ADMET 4
35178171 10.1021/acsmedchemlett.1c00408 K562 1

Data from ChEMBL 36 via Core Engine