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Compound Detail

CHEMBL3288943

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CC(C)(C)Oc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288943
Phase Preclinical
Structure Type MOL
InChI Key HQLORQSFRBMAJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
4.05
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18O5
MW 326.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.83

Literature References

PubMed DOI Target Context # Activities
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus type 1 integrase 3
24794743 10.1016/j.bmc.2014.04.016 Human immunodeficiency virus 1 1
24794743 10.1016/j.bmc.2014.04.016 C8166 1
24794743 10.1016/j.bmc.2014.04.016 ADMET 1

Data from ChEMBL 36 via Core Engine