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Compound Detail

CHEMBL1813133

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CCOC(=O)CC(=O)Nc1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1813133
Phase Preclinical
Structure Type MOL
InChI Key DAUQXSDOHYNQDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.1
MW (Da)
2.89
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11Cl2NO3
MW 276.12
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
21767953 10.1016/j.bmc.2011.06.054 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine