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Compound Detail

CHEMBL165248

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COC(=O)CN1Cc2cccc3nc(O)n(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL165248
Phase Preclinical
Structure Type MOL
InChI Key PXOGJOCVBWEPRZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
1.12
ALogP
6
HBA
1
HBD
67.6
PSA (Ų)
0.83
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 C14H17N3O3
MW 275.31
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.67

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1995896 10.1021/jm00106a040 Human immunodeficiency virus 1 1
1995896 10.1021/jm00106a040 MT4 1

Data from ChEMBL 36 via Core Engine