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Compound Detail

CHEMBL99926

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Nc1ccn([C@@H]2O[C@H](CO)[C@](O)(C3CC3)[C@H]2O)c(=O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99926
Phase Preclinical
Structure Type MOL
InChI Key BIMXFYZBQOLCAM-DLYFRVTGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
-1.78
ALogP
8
HBA
4
HBD
130.8
PSA (Ų)
0.52
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 C12H17N3O5
MW 283.28
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 1.80

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