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Compound Detail

CHEMBL286268

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COc1ccc(/C=C/C(=O)NC[C@@H](NC(=O)/C=C/c2ccc(OC)c(OC)c2)C(=O)O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286268
Phase Preclinical
Structure Type MOL
InChI Key BRBMUUZATYIVGN-VSSSSXACSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

484.5
MW (Da)
2.13
ALogP
7
HBA
3
HBD
132.4
PSA (Ų)
0.39
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N2O8
MW 484.51
Aromatic Rings 2
Heavy Atoms 35
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
10212126 10.1021/jm980531m Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine