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Compound Detail

CHEMBL560235

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Cn1cc(C(=O)C(=O)O)c(=O)c2cc(Cc3ccccc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL560235
Phase Preclinical
Structure Type MOL
InChI Key RDNOXXCJSYSNJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
2.40
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.59
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 C19H15NO4
MW 321.33
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
19719237 10.1021/jm900460z Human immunodeficiency virus type 1 integrase 1
19719237 10.1021/jm900460z Human immunodeficiency virus 1 1
19719237 10.1021/jm900460z MT4 1

Data from ChEMBL 36 via Core Engine