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Compound Detail

CHEMBL286474

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COC(=O)C(COC(=O)/C=C/c1ccc(OC(C)=O)c(OC(C)=O)c1)NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286474
Phase Preclinical
Structure Type MOL
InChI Key AWZGVLGTTYQWQO-SOFGYWHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
0.77
ALogP
9
HBA
1
HBD
134.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO9
MW 407.38
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.40

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