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Compound Detail

CHEMBL336737

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COC(=O)c1cc(C(=CCCCC(OC)OC)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL336737
Phase Preclinical
Structure Type MOL
InChI Key WLDUZTBFHDUFGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

541.4
MW (Da)
5.80
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30Cl2O8
MW 541.42
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
11708913 10.1021/jm010212m Human immunodeficiency virus type 1 reverse transcriptase 1
11708913 10.1021/jm010212m CEM-SS 1

Data from ChEMBL 36 via Core Engine