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

CHEMBL1235246

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
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1235246
Phase Preclinical
Structure Type MOL
InChI Key HVAUUPRFYPCOCA-AREMUKBSSA-N
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

523.7
MW (Da)
5.62
ALogP
7
HBA
0
HBD
94.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
25
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H54NO7P
MW 523.69
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 0.64

Activity Summary

Ki 7 meas. best 9.82
IC50 1 meas. best 9.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
 Ki 9.82 9.82 0.1 1
Platelet-activating factor receptor
CHEMBL250
 IC50 9.55 9.55 0.3 1
D(3) dopamine receptor
CHEMBL234
 Ki 5.75 5.75 1763.9 1
Sigma intracellular receptor 2
CHEMBL4105907
 Ki 5.74 5.74 1817.6 1
Alpha-1D adrenergic receptor
CHEMBL223
 Ki 5.69 5.69 2054.5 1
5-hydroxytryptamine receptor 2C
CHEMBL225
 Ki 5.51 5.51 3076.4 1
Alpha-1B adrenergic receptor
CHEMBL232
 Ki 5.35 5.35 4489.0 1
5-hydroxytryptamine receptor 1D
CHEMBL1983
 Ki 5.07 5.07 8515.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 0.15 nM 9.82 Displacement of [3H]PAF from platelet activating factor receptor in human platel... 23403082
Platelet-activating factor receptor IC50 = 0.28 nM 9.55 Displacement of [3H]PAF from platelet activating factor receptor in human platel... 23403082
D(3) dopamine receptor Ki = 1763.87 nM 5.75 PDSP Secondary Binding target: DRD3 - Compounds are tested at 10 uM concentratio... -
Sigma intracellular receptor 2 Ki = 1817.6 nM 5.74 PDSP Secondary Binding target: TMEM97 - Compounds are tested at 10 uM concentrat... -
Alpha-1D adrenergic receptor Ki = 2054.47 nM 5.69 PDSP Secondary Binding target: ADRA1D - Compounds are tested at 10 uM concentrat... -
5-hydroxytryptamine receptor 2C Ki = 3076.45 nM 5.51 PDSP Secondary Binding target: HTR2C - Compounds are tested at 10 uM concentrati... -
Alpha-1B adrenergic receptor Ki = 4489.0 nM 5.35 PDSP Secondary Binding target: ADRA1B - Compounds are tested at 10 uM concentrat... -
5-hydroxytryptamine receptor 1D Ki = 8515.3 nM 5.07 PDSP Secondary Binding target: HTR1D - Compounds are tested at 10 uM concentrati... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724696 TERT-RPE1 24
- 10.6019/CHEMBL5724696 U2OS 24
- 10.6019/CHEMBL4689842 HEK-293T 10
- 10.6019/CHEMBL4689842 Fibroblast 9
- 10.6019/CHEMBL4689842 U2OS 8
23403082 10.1016/j.bmcl.2013.01.025 Platelet-activating factor receptor 3
- 10.6019/CHEMBL5209801 Sphingosine 1-phosphate receptor 1 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 2
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL5060014 Glycogen synthase kinase-3 beta 1

Data from ChEMBL 36 via Core Engine