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Compound Detail

CHEMBL1159850

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O=P(O)(O)OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(F)C1OP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159850
Phase Preclinical
Structure Type MOL
InChI Key LEPXBUMGDOKDAP-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.1
MW (Da)
-2.39
ALogP
9
HBA
9
HBD
287.3
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15FO17P4
MW 502.06
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.58

Activity Summary

EC50 1 meas. best 7.0
IC50 1 meas. best 8.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.01 8.01 9.7 1
Unchecked
CHEMBL612545
 EC50 7.0 7.0 100.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9.7 nM 8.01 Inhibitory concentration required to displace [3H]insP3 from Inositol 1,4,5-tris... -
Unchecked EC50 = 100.2 nM 7.0 Effective concentration required for Calcium release via the intracellular InsP3... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00210-K Unchecked 2

Data from ChEMBL 36 via Core Engine