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Compound Detail

CHEMBL513808

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CCOC(=O)c1c(O)c2cc(Cc3ccccc3)ccc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL513808
Phase Preclinical
Structure Type MOL
InChI Key SSOBFBZDUXEEPZ-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.01
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.74
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 C20H19NO4
MW 337.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.22

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19026554 10.1016/j.bmc.2008.10.088 Human immunodeficiency virus type 1 integrase 3
19026554 10.1016/j.bmc.2008.10.088 HCT-116 2

Data from ChEMBL 36 via Core Engine