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Compound Detail

CHEMBL1958452

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CCOc1ccc(/C=N/NC(=O)c2ccc(O)c(OC)c2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958452
Phase Preclinical
Structure Type MOL
InChI Key NDXJKZMDIVZLNG-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
2.57
ALogP
6
HBA
2
HBD
89.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2O5
MW 344.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2

Data from ChEMBL 36 via Core Engine