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Compound Detail

CHEMBL610853

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Nc1nc(C#Cc2ccccc2)nc2c1ncn2C1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL610853
Phase Preclinical
Structure Type MOL
InChI Key IFWPKQUPHSOILY-HETNKJQDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.3
MW (Da)
-0.46
ALogP
10
HBA
5
HBD
186.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N5O7P
MW 447.34
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.72

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15828813 10.1021/jm0493562 Unchecked 9

Data from ChEMBL 36 via Core Engine