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Compound Detail

CHEMBL3288952

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O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(OCc3ccc(F)cc3)cc(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288952
Phase Preclinical
Structure Type MOL
InChI Key RBJBEODRUMALFL-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.52
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FO5
MW 380.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.63

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