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Compound Detail

CHEMBL2367982

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Nc1nc(=O)n([C@H]2C=C(CO)[C@H](O)[C@@H]2O)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2367982
Phase Preclinical
Structure Type MOL
InChI Key MTTFZWRVGJHJQX-BIIVOSGPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

257.2
MW (Da)
-1.84
ALogP
7
HBA
4
HBD
121.6
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12FN3O4
MW 257.22
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.82

Literature References

PubMed DOI Target Context # Activities
12467606 10.1016/s0960-894x(02)00841-7 NON-PROTEIN TARGET 10
12467606 10.1016/s0960-894x(02)00841-7 ADMET 10
12467606 10.1016/s0960-894x(02)00841-7 Vero 10
11689085 10.1021/jm010256v Human immunodeficiency virus 1 1
11689085 10.1021/jm010256v West Nile virus 1
11689085 10.1021/jm010256v ADMET 1
11689085 10.1021/jm010256v Vero 1
11689085 10.1021/jm010256v CCRF-CEM 1

Data from ChEMBL 36 via Core Engine