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Compound Detail

CHEMBL1257455

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O=C(NCc1ccc(F)cc1)c1nc2c3ccccc3on2c(=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1257455
Phase Preclinical
Structure Type MOL
InChI Key JQGGJVMHMXIAHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
2.22
ALogP
6
HBA
2
HBD
96.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12FN3O4
MW 353.31
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
20727748 10.1016/j.bmcl.2010.07.079 Human immunodeficiency virus type 1 integrase 1

Data from ChEMBL 36 via Core Engine