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Compound Detail

CHEMBL131699

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CCNC(=O)NCCC=C(c1cc(Cl)c(OC)c(C(=O)OC)c1)c1cc(Cl)c(OC)c(C(=O)OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131699
Phase Preclinical
Structure Type MOL
InChI Key WCJFMJYRGRLSEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.4
MW (Da)
4.72
ALogP
7
HBA
2
HBD
112.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28Cl2N2O7
MW 539.41
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.31

Literature References

PubMed DOI Target Context # Activities
11708913 10.1021/jm010212m CEM-SS 2
11708913 10.1021/jm010212m Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine