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Compound Detail

CHEMBL99557

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C#CC[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99557
Phase Preclinical
Structure Type MOL
InChI Key APVASZJDXKPNNI-DLYFRVTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
-2.17
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O5
MW 281.27
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.54

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