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Compound Detail

CHEMBL4299199

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B[P@@](=O)(OC[C@H]1O[C@@H](n2c[n+](C)c3c(O)nc(N)nc32)[C@H](O)[C@@H]1O)OP(=O)([O-])CP(=O)(O)O.N.N.N.N

Basic Information

ChEMBL ID CHEMBL4299199
Phase Preclinical
Structure Type MOL
InChI Key CJXPNKWMDYCPOV-PKCZVLDDSA-N
Parent Compound CHEMBL4302317
Active Moiety CHEMBL4302317
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

531.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H33BN9O12P3
MW 599.18

Activity Summary

IC50 2 meas. best 5.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Eukaryotic translation initiation factor 4E
CHEMBL5636
IC50 5.59 5.54 2550.0 2

Pharmacokinetic Data

Parameter Value Units Species
Ka 36.1 /uM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26264844 10.1016/j.bmc.2015.07.052 Eukaryotic translation initiation factor 4E 3
26264844 10.1016/j.bmc.2015.07.052 m7GpppX diphosphatase 1

Data from ChEMBL 36 via Core Engine