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Compound Detail

CHEMBL519766

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CC1(C)C2CCC1(C)C(OC(=O)/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519766
Phase Preclinical
Structure Type MOL
InChI Key AAMHKUSHZPJSMY-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.78
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.28
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 C19H23NO6
MW 361.39
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 1.26

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