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

CHEMBL4745129

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
C/C(C=O)=C\CCP(=O)(OCOC(=O)C(C)(C)C)Oc1ccc2ccc(=O)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745129
Phase Preclinical
Structure Type MOL
InChI Key RRXJVBUFIDUHSS-GIDUJCDVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.4
MW (Da)
4.46
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.14
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25O8P
MW 436.40
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.98

Activity Summary

EC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Butyrophilin subfamily 3 member A1
CHEMBL4105758
 EC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Butyrophilin subfamily 3 member A1 EC50 = 12.0 nM 7.92 Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assesse... 33488975

Literature References

PubMed DOI Target Context # Activities
33488975 10.1021/acsmedchemlett.0c00586 Butyrophilin subfamily 3 member A1 3

Data from ChEMBL 36 via Core Engine