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Compound Detail

CHEMBL65019

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C=C(c1cc(Br)c(OC)c(C(=O)OC)c1)c1cc(Br)c(OC)c(C(=O)OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65019
Phase Preclinical
Structure Type MOL
InChI Key XONWPKUJNMMKBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

514.2
MW (Da)
4.86
ALogP
6
HBA
0
HBD
71.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Br2O6
MW 514.17
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
9622549 10.1021/jm9800595 Human immunodeficiency virus type 1 reverse transcriptase 1
9622549 10.1021/jm9800595 CEM-SS 1
9622549 10.1021/jm9800595 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine