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Compound Detail

CHEMBL1958246

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O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1958246
Phase Preclinical
Structure Type MOL
InChI Key ZLEXMGDSSQQDGN-REZTVBANSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.3
MW (Da)
1.91
ALogP
6
HBA
1
HBD
78.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O5
MW 312.28
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.08

Literature References

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

Data from ChEMBL 36 via Core Engine