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Compound Detail

CHEMBL92678

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O=C(OC1COc2cc(O)cc(O)c2C1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL92678
Phase Preclinical
Structure Type MOL
InChI Key VVJDVIDJTVHKEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
2.26
ALogP
5
HBA
2
HBD
76.0
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 C16H14O5
MW 286.28
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.09

Literature References

PubMed DOI Target Context # Activities
11844664 10.1016/s0960-894x(01)00827-7 Human immunodeficiency virus type 1 reverse transcriptase 4
11591519 10.1016/s0960-894x(01)00577-7 Human immunodeficiency virus type 1 reverse transcriptase 1
11591519 10.1016/s0960-894x(01)00577-7 Human immunodeficiency virus type 1 protease 1

Data from ChEMBL 36 via Core Engine