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Compound Detail

CHEMBL4458520

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Nc1ncnc2c1c(I)cn2[C@]12C[C@H]1[C@H](N)[C@@H](O)[C@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4458520
Phase Preclinical
Structure Type MOL
InChI Key HOMYCFIXZDWAGO-NVJYAXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.2
MW (Da)
-0.60
ALogP
7
HBA
4
HBD
123.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14IN5O2
MW 387.18
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.67

Literature References

PubMed DOI Target Context # Activities
27410258 10.1021/acs.jmedchem.6b00689 Adenosine kinase 5

Data from ChEMBL 36 via Core Engine