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Compound Detail

CHEMBL316513

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CCC#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316513
Phase Preclinical
Structure Type MOL
InChI Key SMPMIXWAZWGWTO-IHXVIFPJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
-2.07
ALogP
7
HBA
4
HBD
124.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O6
MW 296.28
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 1.26

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
9667977 10.1021/jm9801814 L1210 1
9667977 10.1021/jm9801814 KB 1

Data from ChEMBL 36 via Core Engine