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Compound Detail

CHEMBL339176

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

Basic Information

ChEMBL ID CHEMBL339176
Phase Preclinical
Structure Type MOL
InChI Key LPOFOKVTBYIPES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
4.54
ALogP
7
HBA
1
HBD
100.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25Cl2NO7
MW 510.37
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.05

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