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Compound Detail

CHEMBL226375

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COC(=O)C(=O)CC(=O)c1ccc(Br)c(CC(=O)c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226375
Phase Preclinical
Structure Type MOL
InChI Key WIMOVNCIXISJAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)
3.19
ALogP
5
HBA
0
HBD
77.5
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrO5
MW 403.23
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
17158051 10.1016/j.bmc.2006.11.026 Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine