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Compound Detail

CHEMBL1616905

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CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3[C@H](O)C12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1616905
Phase Preclinical
Structure Type MOL
InChI Key KTUXFHGUHYRDNF-FHQPFXHLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
-1.24
ALogP
10
HBA
7
HBD
201.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O9
MW 460.44
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.59

Literature References

PubMed DOI Target Context # Activities
24249037 10.1007/s11095-013-1232-z No relevant target 1

Data from ChEMBL 36 via Core Engine