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Compound Detail

CHEMBL474594

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COc1c(O)ccc(/C=C/C(=O)OCCc2ccccc2)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474594
Phase Preclinical
Structure Type MOL
InChI Key LMRGUKFMOBFUOZ-CSKARUKUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.11
ALogP
6
HBA
1
HBD
98.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17NO6
MW 343.34
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
18952420 10.1016/j.bmcl.2008.10.046 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine