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Compound Detail

CHEMBL228383

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C[C@]1(CO)C[C@]1(F)n1ccc(N)nc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL228383
Phase Preclinical
Structure Type MOL
InChI Key KQKCXHGBXCFKGS-BDAKNGLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

213.2
MW (Da)
-0.15
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.72
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 C9H12FN3O2
MW 213.21
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
17188402 10.1016/j.ejmech.2006.11.002 Human immunodeficiency virus 1 1
17188402 10.1016/j.ejmech.2006.11.002 Human alphaherpesvirus 1 1
17188402 10.1016/j.ejmech.2006.11.002 Human alphaherpesvirus 2 1
17188402 10.1016/j.ejmech.2006.11.002 Human betaherpesvirus 5 1

Data from ChEMBL 36 via Core Engine