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Compound Detail

CHEMBL276945

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O=C(NCCCNC(=O)c1ccc2cc(O)ccc2c1)c1ccc2cc(O)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL276945
Phase Preclinical
Structure Type MOL
InChI Key MXGXSZFLBYRUBQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.95
ALogP
4
HBA
4
HBD
98.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N2O4
MW 414.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
9111292 10.1021/jm960449w Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine