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Compound Detail

CHEMBL107490

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COc1ccc(Cn2nnnc2C(=O)/C=C(\O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL107490
Phase Preclinical
Structure Type MOL
InChI Key MPDQDFUXYXPNFB-FSGOGVSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
5.67
ALogP
9
HBA
1
HBD
108.6
PSA (Ų)
0.12
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28N4O5
MW 548.60
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
12109903 10.1021/jm020037p Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine