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Compound Detail

CHEMBL330648

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

Basic Information

ChEMBL ID CHEMBL330648
Phase Preclinical
Structure Type MOL
InChI Key AKJOWGQHXMLRNU-KHUVANEUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
-1.96
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.53
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 C11H12N2O5
MW 252.23
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.07

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