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Compound Detail

CHEMBL68883

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O=c1ccn(C2OC(CO)CC2F)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68883
Phase Preclinical
Structure Type MOL
InChI Key YTLACGJEZOUGQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

230.2
MW (Da)
-0.85
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.69
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 C9H11FN2O4
MW 230.19
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
2165162 10.1021/jm00170a017 CCRF-CEM 2
2165161 10.1021/jm00170a015 C8166 1
7520081 10.1021/jm00042a005 Human immunodeficiency virus type 1 reverse transcriptase 1
1351945 10.1021/jm00090a008 No relevant target 1

Data from ChEMBL 36 via Core Engine