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Compound Detail

CHEMBL1235210

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CCCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL1235210
Phase Preclinical
Structure Type MOL
InChI Key MCQFLTGFZQKDHC-IVZWLZJFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
-0.75
ALogP
7
HBA
4
HBD
151.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N2O8P
MW 350.26
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 0.81

Activity Summary

IC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 100000.0 nM 4.0 The compound was tested for inhibition of the rate of 1 uM UDP-[3H]-GlcNAc impor... 8709123

Literature References

PubMed DOI Target Context # Activities
8709123 10.1021/jm960175c Unchecked 2

Data from ChEMBL 36 via Core Engine