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Compound Detail

CHEMBL489944

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Nc1ncnc2c1ncn2/C=C1\C[C@@H]1[C@H](O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489944
Phase Preclinical
Structure Type MOL
InChI Key OQXYWTDDSQPSMF-SXLGRDMDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
-0.38
ALogP
7
HBA
3
HBD
110.1
PSA (Ų)
0.68
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 C11H13N5O2
MW 247.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
19397271 10.1021/jm900126v Human betaherpesvirus 5 2
19397271 10.1021/jm900126v HFF 2
19397271 10.1021/jm900126v Adenosine deaminase 2
19397271 10.1021/jm900126v ADMET 1
19397271 10.1021/jm900126v Human gammaherpesvirus 4 1
19397271 10.1021/jm900126v Hepatitis B virus 1
19397271 10.1021/jm900126v Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine