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Compound Detail

CHEMBL1229914

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Cc1cn([C@H]2CC[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229914
Phase Preclinical
Structure Type MOL
InChI Key WVNRRNJFRREKAR-JGVFFNPUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.2
MW (Da)
-0.37
ALogP
6
HBA
3
HBD
130.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H15N2O7P
MW 306.21
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.96

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 9000.0 nM 5.05 In vitro inhibition of UDP-[3H]-GlcNAc import into the lumen of the Golgi membra... 8709123

Literature References

PubMed DOI Target Context # Activities
8709123 10.1021/jm960175c NON-PROTEIN TARGET 1
8709123 10.1021/jm960175c Unchecked 1

Data from ChEMBL 36 via Core Engine